4-chloro-1-methyl-N-(2-methylpropyl)-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide

C15H19ClN4O — CID 74248019

IUPAC4-chloro-1-methyl-N-(2-methylpropyl)-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide
SMILESCC(C)CN(Cc1ccccn1)C(=O)c1nn(C)cc1Cl
InChIInChI=1S/C15H19ClN4O/c1-11(2)8-20(9-12-6-4-5-7-17-12)15(21)14-13(16)10-19(3)18-14/h4-7,10-11H,8-9H2,1-3H3
InChIKeySNAJZRAALVMHNQ-UHFFFAOYSA-N
MW306.80 g/mol
LogP2.77
Rot. Bonds5

About 4-chloro-1-methyl-N-(2-methylpropyl)-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide

4-chloro-1-methyl-N-(2-methylpropyl)-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide (PubChem CID 74248019) has the molecular formula C15H19ClN4O and a molecular weight of 306.80 g/mol. Its IUPAC name is 4-chloro-1-methyl-N-(2-methylpropyl)-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-1-methyl-N-(2-methylpropyl)-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide
PubChem CID74248019
Molecular FormulaC15H19ClN4O
Molecular Weight306.80 g/mol
Exact Mass306.12
IUPAC Name4-chloro-1-methyl-N-(2-methylpropyl)-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide
SMILESCC(C)CN(Cc1ccccn1)C(=O)c1nn(C)cc1Cl
InChIInChI=1S/C15H19ClN4O/c1-11(2)8-20(9-12-6-4-5-7-17-12)15(21)14-13(16)10-19(3)18-14/h4-7,10-11H,8-9H2,1-3H3
InChIKeySNAJZRAALVMHNQ-UHFFFAOYSA-N
XLogP2.77
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methyl-N-(2-methylpropyl)-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide?
The IUPAC name of 4-chloro-1-methyl-N-(2-methylpropyl)-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide (CID 74248019) is 4-chloro-1-methyl-N-(2-methylpropyl)-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-1-methyl-N-(2-methylpropyl)-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-1-methyl-N-(2-methylpropyl)-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide is CC(C)CN(Cc1ccccn1)C(=O)c1nn(C)cc1Cl.
What is the InChIKey of 4-chloro-1-methyl-N-(2-methylpropyl)-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide?
The InChIKey is SNAJZRAALVMHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O/c1-11(2)8-20(9-12-6-4-5-7-17-12)15(21)14-13(16)10-19(3)18-14/h4-7,10-11H,8-9H2,1-3H3.
What are the key properties of 4-chloro-1-methyl-N-(2-methylpropyl)-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide?
4-chloro-1-methyl-N-(2-methylpropyl)-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide has a molecular weight of 306.80 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methyl-N-(2-methylpropyl)-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 74248019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).