6-chloro-N-(5-methyl-2-phenylpyrazol-3-yl)pyridin-2-amine

C15H13ClN4 — CID 4684353

IUPAC6-chloro-N-(5-methyl-2-phenylpyrazol-3-yl)pyridin-2-amine
SMILESCc1cc(Nc2cccc(Cl)n2)n(-c2ccccc2)n1
InChIInChI=1S/C15H13ClN4/c1-11-10-15(18-14-9-5-8-13(16)17-14)20(19-11)12-6-3-2-4-7-12/h2-10H,1H3,(H,17,18)
InChIKeyGABZKMUODFMLPV-UHFFFAOYSA-N
MW284.75 g/mol
LogP3.97
Rot. Bonds3

About 6-chloro-N-(5-methyl-2-phenylpyrazol-3-yl)pyridin-2-amine

6-chloro-N-(5-methyl-2-phenylpyrazol-3-yl)pyridin-2-amine (PubChem CID 4684353) has the molecular formula C15H13ClN4 and a molecular weight of 284.75 g/mol. Its IUPAC name is 6-chloro-N-(5-methyl-2-phenylpyrazol-3-yl)pyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-(5-methyl-2-phenylpyrazol-3-yl)pyridin-2-amine
PubChem CID4684353
Molecular FormulaC15H13ClN4
Molecular Weight284.75 g/mol
Exact Mass284.08
IUPAC Name6-chloro-N-(5-methyl-2-phenylpyrazol-3-yl)pyridin-2-amine
SMILESCc1cc(Nc2cccc(Cl)n2)n(-c2ccccc2)n1
InChIInChI=1S/C15H13ClN4/c1-11-10-15(18-14-9-5-8-13(16)17-14)20(19-11)12-6-3-2-4-7-12/h2-10H,1H3,(H,17,18)
InChIKeyGABZKMUODFMLPV-UHFFFAOYSA-N
XLogP3.97
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1H-Pyrazol-5-amine, 1-(4-chlorophenyl)-3-methyl-
CID 170301
6-chloro-N-phenylpyridazin-3-amine
CID 6401740
N-(3-chlorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 517858
N-(4-chlorophenyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 4909257
N-(4-chlorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 741601
N-(3-chlorophenyl)-N'-(3-methyl-1-phenyl-1H-pyrazol-5-yl)urea
CID 2815115
3-chloro-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)quinoxalin-2-amine
CID 1872273
1-(3-chlorophenyl)-3-methyl-1H-pyrazol-5-amine
CID 1810630
N-(2-chlorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 743053
3,5-dichloro-N-(5-methyl-2-phenylpyrazol-3-yl)pyridin-2-amine
CID 2483894
(2,3-Dichloro-phenyl)-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-amine
CID 1088124
(2,4-Dichloro-phenyl)-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-amine
CID 1088126

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(5-methyl-2-phenylpyrazol-3-yl)pyridin-2-amine?
The IUPAC name of 6-chloro-N-(5-methyl-2-phenylpyrazol-3-yl)pyridin-2-amine (CID 4684353) is 6-chloro-N-(5-methyl-2-phenylpyrazol-3-yl)pyridin-2-amine.
What is the SMILES notation for 6-chloro-N-(5-methyl-2-phenylpyrazol-3-yl)pyridin-2-amine?
The canonical SMILES for 6-chloro-N-(5-methyl-2-phenylpyrazol-3-yl)pyridin-2-amine is Cc1cc(Nc2cccc(Cl)n2)n(-c2ccccc2)n1.
What is the InChIKey of 6-chloro-N-(5-methyl-2-phenylpyrazol-3-yl)pyridin-2-amine?
The InChIKey is GABZKMUODFMLPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4/c1-11-10-15(18-14-9-5-8-13(16)17-14)20(19-11)12-6-3-2-4-7-12/h2-10H,1H3,(H,17,18).
What are the key properties of 6-chloro-N-(5-methyl-2-phenylpyrazol-3-yl)pyridin-2-amine?
6-chloro-N-(5-methyl-2-phenylpyrazol-3-yl)pyridin-2-amine has a molecular weight of 284.75 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(5-methyl-2-phenylpyrazol-3-yl)pyridin-2-amine is sourced from PubChem (CID 4684353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).