1-methyl-1H-pyrazol-5-ylamine - CAS 1192-21-8

Catalog:	BB004436
Product Name:	1-methyl-1H-pyrazol-5-ylamine
CAS:	1192-21-8
Synonyms:	2-methyl-3-pyrazolamine; 2-methylpyrazol-3-amine

Technical Data

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Computed Properties

IUPAC Name:	2-methylpyrazol-3-amine
Description:	An interesting synthetic intermediate.
Molecular Weight:	97.12
Molecular Formula:	C4H7N3
Canonical SMILES:	CN1C(=CC=N1)N
InChI:	InChI=1S/C4H7N3/c1-7-4(5)2-3-6-7/h2-3H,5H2,1H3
InChI Key:	JESRNIJXVIFVOV-UHFFFAOYSA-N
Boiling Point:	95-96 °C (0.5 mmHg)
Density:	1.22 g/cm³
MDL:	MFCD00068156
LogP:	0.58350

Publication Number	Title	Priority Date
CN-112300157-A	Novel pyrazolopyridine compound with anti-tumor activity and preparation method thereof	20201116
CN-112300157-B	Novel pyrazolopyridine compound with anti-tumor activity and preparation method thereof	20201116
WO-2021133915-A1	Ectonucleotide pyrophosphatase/phosphodiesterase 1 (enpp1) modulators and uses thereof	20191223
CN-110950876-A	Furanolactam compounds, preparation method and application	20191210
CN-110950876-B	Furanolactam compounds, preparation method and application	20191210

PMID	Publication Date	Title	Journal
18701284	20080901	Synthesis and SAR of novel parenteral anti-pseudomonal cephalosporins: discovery of FR264205	Bioorganic & medicinal chemistry letters

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Related Functional Groups

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GHS Hazard Statement:	H301 (86.36%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P310, 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:	Danger

Complexity:	64
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	97.063997236
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	97.063997236
Rotatable Bond Count:	0
Topological Polar Surface Area:	43.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.1