1-(3-chloro-4-methylphenyl)-3-pyridin-2-ylpyrazol-4-amine

C15H13ClN4 — CID 83216525

IUPAC1-(3-chloro-4-methylphenyl)-3-pyridin-2-ylpyrazol-4-amine
SMILESCc1ccc(-n2cc(N)c(-c3ccccn3)n2)cc1Cl
InChIInChI=1S/C15H13ClN4/c1-10-5-6-11(8-12(10)16)20-9-13(17)15(19-20)14-4-2-3-7-18-14/h2-9H,17H2,1H3
InChIKeyGETWXSSRWHQNDQ-UHFFFAOYSA-N
MW284.75 g/mol
LogP3.48
Rot. Bonds2

About 1-(3-chloro-4-methylphenyl)-3-pyridin-2-ylpyrazol-4-amine

1-(3-chloro-4-methylphenyl)-3-pyridin-2-ylpyrazol-4-amine (PubChem CID 83216525) has the molecular formula C15H13ClN4 and a molecular weight of 284.75 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-3-pyridin-2-ylpyrazol-4-amine.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-3-pyridin-2-ylpyrazol-4-amine
PubChem CID83216525
Molecular FormulaC15H13ClN4
Molecular Weight284.75 g/mol
Exact Mass284.08
IUPAC Name1-(3-chloro-4-methylphenyl)-3-pyridin-2-ylpyrazol-4-amine
SMILESCc1ccc(-n2cc(N)c(-c3ccccn3)n2)cc1Cl
InChIInChI=1S/C15H13ClN4/c1-10-5-6-11(8-12(10)16)20-9-13(17)15(19-20)14-4-2-3-7-18-14/h2-9H,17H2,1H3
InChIKeyGETWXSSRWHQNDQ-UHFFFAOYSA-N
XLogP3.48
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chlorophenyl)-3-pyridin-2-ylpyrazol-4-amine
CID 83216429
1-(3-chloro-4-methylphenyl)-3-(3-methylphenyl)pyrazol-4-amine
CID 83205233
2-(4-chloro-1-phenylpyrazol-3-yl)pyridine
CID 141352920
3-(4-chlorophenyl)-1-(3,4-dichlorophenyl)pyrazol-4-amine
CID 83204665
1-(3-chlorophenyl)-3-pyridin-2-ylpyrazole-4-carbaldehyde
CID 43324156
1-benzyl-3-pyridin-2-ylpyrazol-4-amine
CID 83216358
3-tert-butyl-1-(3,4-dichlorophenyl)pyrazol-4-amine
CID 83216651
2-methyl-5-(2-pyridin-2-ylphenyl)aniline
CID 135030637
1-(4-chlorophenyl)-3-(3-fluoro-4-methylphenyl)pyrazol-4-amine
CID 83203236
1-(4-chlorophenyl)-3-(2,6-difluorophenyl)pyrazol-4-amine
CID 83205335
5-(3-chloro-4-methylphenyl)-4-pyridin-2-yl-1,2-oxazol-3-amine
CID 80522847
1-(1-cyclopropylethyl)-3-pyridin-2-ylpyrazol-4-amine
CID 83217482

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-3-pyridin-2-ylpyrazol-4-amine?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-3-pyridin-2-ylpyrazol-4-amine (CID 83216525) is 1-(3-chloro-4-methylphenyl)-3-pyridin-2-ylpyrazol-4-amine.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-3-pyridin-2-ylpyrazol-4-amine?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-3-pyridin-2-ylpyrazol-4-amine is Cc1ccc(-n2cc(N)c(-c3ccccn3)n2)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-3-pyridin-2-ylpyrazol-4-amine?
The InChIKey is GETWXSSRWHQNDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4/c1-10-5-6-11(8-12(10)16)20-9-13(17)15(19-20)14-4-2-3-7-18-14/h2-9H,17H2,1H3.
What are the key properties of 1-(3-chloro-4-methylphenyl)-3-pyridin-2-ylpyrazol-4-amine?
1-(3-chloro-4-methylphenyl)-3-pyridin-2-ylpyrazol-4-amine has a molecular weight of 284.75 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-3-pyridin-2-ylpyrazol-4-amine is sourced from PubChem (CID 83216525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).