3-(5-chloro-2-methylphenyl)-1-methyl-4-pyridin-2-ylpyrazol-5-amine

C16H15ClN4 — CID 82871264

IUPAC3-(5-chloro-2-methylphenyl)-1-methyl-4-pyridin-2-ylpyrazol-5-amine
SMILESCc1ccc(Cl)cc1-c1nn(C)c(N)c1-c1ccccn1
InChIInChI=1S/C16H15ClN4/c1-10-6-7-11(17)9-12(10)15-14(16(18)21(2)20-15)13-5-3-4-8-19-13/h3-9H,18H2,1-2H3
InChIKeyQVSHYDWZESHNBO-UHFFFAOYSA-N
MW298.78 g/mol
LogP3.69
Rot. Bonds2

About 3-(5-chloro-2-methylphenyl)-1-methyl-4-pyridin-2-ylpyrazol-5-amine

3-(5-chloro-2-methylphenyl)-1-methyl-4-pyridin-2-ylpyrazol-5-amine (PubChem CID 82871264) has the molecular formula C16H15ClN4 and a molecular weight of 298.78 g/mol. Its IUPAC name is 3-(5-chloro-2-methylphenyl)-1-methyl-4-pyridin-2-ylpyrazol-5-amine.

Molecular Properties

Compound Name3-(5-chloro-2-methylphenyl)-1-methyl-4-pyridin-2-ylpyrazol-5-amine
PubChem CID82871264
Molecular FormulaC16H15ClN4
Molecular Weight298.78 g/mol
Exact Mass298.10
IUPAC Name3-(5-chloro-2-methylphenyl)-1-methyl-4-pyridin-2-ylpyrazol-5-amine
SMILESCc1ccc(Cl)cc1-c1nn(C)c(N)c1-c1ccccn1
InChIInChI=1S/C16H15ClN4/c1-10-6-7-11(17)9-12(10)15-14(16(18)21(2)20-15)13-5-3-4-8-19-13/h3-9H,18H2,1-2H3
InChIKeyQVSHYDWZESHNBO-UHFFFAOYSA-N
XLogP3.69
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.78
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-methylphenyl)-1-methyl-4-pyridin-2-ylpyrazol-5-amine?
The IUPAC name of 3-(5-chloro-2-methylphenyl)-1-methyl-4-pyridin-2-ylpyrazol-5-amine (CID 82871264) is 3-(5-chloro-2-methylphenyl)-1-methyl-4-pyridin-2-ylpyrazol-5-amine.
What is the SMILES notation for 3-(5-chloro-2-methylphenyl)-1-methyl-4-pyridin-2-ylpyrazol-5-amine?
The canonical SMILES for 3-(5-chloro-2-methylphenyl)-1-methyl-4-pyridin-2-ylpyrazol-5-amine is Cc1ccc(Cl)cc1-c1nn(C)c(N)c1-c1ccccn1.
What is the InChIKey of 3-(5-chloro-2-methylphenyl)-1-methyl-4-pyridin-2-ylpyrazol-5-amine?
The InChIKey is QVSHYDWZESHNBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4/c1-10-6-7-11(17)9-12(10)15-14(16(18)21(2)20-15)13-5-3-4-8-19-13/h3-9H,18H2,1-2H3.
What are the key properties of 3-(5-chloro-2-methylphenyl)-1-methyl-4-pyridin-2-ylpyrazol-5-amine?
3-(5-chloro-2-methylphenyl)-1-methyl-4-pyridin-2-ylpyrazol-5-amine has a molecular weight of 298.78 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-methylphenyl)-1-methyl-4-pyridin-2-ylpyrazol-5-amine is sourced from PubChem (CID 82871264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).