4-[(1-Pyrazolyl)methyl]aniline - CAS 142335-61-3

Catalog:	BB009357
Product Name:	4-[(1-Pyrazolyl)methyl]aniline
CAS:	142335-61-3
Synonyms:	4-(1-pyrazolylmethyl)aniline; 4-(pyrazol-1-ylmethyl)aniline

Technical Data

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Computed Properties

IUPAC Name:	4-(pyrazol-1-ylmethyl)aniline
Description:	4-[(1-Pyrazolyl)methyl]aniline (CAS# 142335-61-3) is a useful research chemical.
Molecular Weight:	173.21
Molecular Formula:	C10H11N3
Canonical SMILES:	C1=CN(N=C1)CC2=CC=C(C=C2)N
InChI:	InChI=1S/C10H11N3/c11-10-4-2-9(3-5-10)8-13-7-1-6-12-13/h1-7H,8,11H2
InChI Key:	ISRYTHBRUSOVAB-UHFFFAOYSA-N
Boiling Point:	363.6 °C at 760 mmHg
Density:	1.16 g/cm³
MDL:	MFCD03422514
LogP:	2.09480

Publication Number	Title	Priority Date
CN-109071542-A	It can be used as the carboxamide derivative of RSK inhibitor	20160219
WO-2017083520-A1	Animal therapeutic and feed compositions and methods of use	20151113
EP-3556752-A1	N-((het)arylmethyl)-heteroaryl-carboxamides compounds as plasma kallikrein inhibitors	20141127
AU-2013334236-A1	Heteroaryl inhibitors of PDE4	20121025
CA-2886263-A1	Heteroaryl inhibitors of pde4	20121025

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Related Functional Groups

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	152
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	173.095297364
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	173.095297364
Rotatable Bond Count:	2
Topological Polar Surface Area:	43.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1