1-Benzylpyrazole - CAS 10199-67-4

Catalog:	BB000729
Product Name:	1-Benzylpyrazole
CAS:	10199-67-4
Synonyms:	1-(phenylmethyl)pyrazole; 1-benzylpyrazole

Technical Data

Patents

Literatures

Computed Properties

IUPAC Name:	1-benzylpyrazole
Description:	1-Benzylpyrazole (CAS# 10199-67-4) is an intermediate in the synthesis of various pharmaceutical compounds containing pyrazole. It can be used for green iodination of pyrazoles to form the corresponding 4-Iodopyrazole derivatives.
Molecular Weight:	158.20
Molecular Formula:	C10H10N2
Canonical SMILES:	C1=CC=C(C=C1)CN2C=CC=N2
InChI:	InChI=1S/C10H10N2/c1-2-5-10(6-3-1)9-12-8-4-7-11-12/h1-8H,9H2
InChI Key:	AKQAJYLKBCWJBV-UHFFFAOYSA-N
Boiling Point:	287.8 °C at 760 mmHg
Density:	1.04 g/cm³
Storage:	Sealed in dry, Room Temperature
LogP:	1.93140

Publication Number	Title	Priority Date
US-2021139857-A1	Intestinal organoid co-culture systems and methods for treating or preventing a disease or disorder associated with immune response-mediated tissue injury	20191113
WO-2021097074-A1	Intestinal organoid co-culture systems and methods for treating or preventing a disease or disorder associated with immune response-mediated tissue injury	20191113
KR-102112336-B1	Heterocyclic compound as a protein kinase inhibitor	20190812
US-2020222400-A1	Methods for the treatment of neurological disorders	20190116
WO-2020150423-A1	Methods for the treatment of neurological disorders	20190116

PMID	Publication Date	Title	Journal
21836897	20110701	A second monoclinic polymorph of {bis-[5-methyl-3-(trifluoro-meth-yl)pyrazol-1-yl]borato}{tris-[5-methyl-3-(trifluoro-meth-yl)pyrazol-1-yl]borato}cobalt(II): a structure containing a B-H⋯Co agostic inter-action	Acta crystallographica. Section E, Structure reports online
21579005	20100410	{Bis[5-methyl-3-(trifluoro-meth-yl)pyrazol-1-yl]borato}{tris-[5-methyl-3-(trifluoro-meth-yl)pyrazol-1-yl]borato}cobalt(II): a structure containing a B-H⋯Co agostic inter-action	Acta crystallographica. Section E, Structure reports online
19571412	20090701	Synthesis, nematicidal and antimicrobial properties of Bis-[4-methoxy-3-[3-(4-fluorophenyl)-6-(4-methylphenyl)-2(aryl)-tetrahydro-2H-pyrazolo[3,4-d]thiazol-5-yl]phenyl]methanes	Chemical & pharmaceutical bulletin
18425742	20080101	Phosphorescent iridium(III) complexes with nonconjugated cyclometalated ligands	Chemistry (Weinheim an der Bergstrasse, Germany)

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Complexity:	130
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	158.084398327
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	158.084398327
Rotatable Bond Count:	2
Topological Polar Surface Area:	17.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8