3-chloro-N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)pyridine-4-carboxamide

C15H19ClN4O — CID 46992442

IUPAC3-chloro-N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)pyridine-4-carboxamide
SMILESCCC(CC)n1nc(C)cc1NC(=O)c1ccncc1Cl
InChIInChI=1S/C15H19ClN4O/c1-4-11(5-2)20-14(8-10(3)19-20)18-15(21)12-6-7-17-9-13(12)16/h6-9,11H,4-5H2,1-3H3,(H,18,21)
InChIKeyHMFCKQUKNLEXPZ-UHFFFAOYSA-N
MW306.80 g/mol
LogP3.85
Rot. Bonds5

About 3-chloro-N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)pyridine-4-carboxamide

3-chloro-N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)pyridine-4-carboxamide (PubChem CID 46992442) has the molecular formula C15H19ClN4O and a molecular weight of 306.80 g/mol. Its IUPAC name is 3-chloro-N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)pyridine-4-carboxamide
PubChem CID46992442
Molecular FormulaC15H19ClN4O
Molecular Weight306.80 g/mol
Exact Mass306.12
IUPAC Name3-chloro-N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)pyridine-4-carboxamide
SMILESCCC(CC)n1nc(C)cc1NC(=O)c1ccncc1Cl
InChIInChI=1S/C15H19ClN4O/c1-4-11(5-2)20-14(8-10(3)19-20)18-15(21)12-6-7-17-9-13(12)16/h6-9,11H,4-5H2,1-3H3,(H,18,21)
InChIKeyHMFCKQUKNLEXPZ-UHFFFAOYSA-N
XLogP3.85
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)pyridine-4-carboxamide
CID 50952644
N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 46993346
3-acetamido-N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)thiophene-2-carboxamide
CID 50960014
2-chloro-4-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]benzoic acid
CID 120515659
2-chloro-N-(2,5-dimethylpyrazol-3-yl)benzamide
CID 3741602
3-chloro-N-(2-ethylphenyl)pyridine-4-carboxamide
CID 66462437
N-[1-(4-bromophenyl)propyl]-3-chloropyridine-4-carboxamide
CID 66484299
3-chloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 66484720
3-chloro-N-(4-ethoxy-2-methylphenyl)pyridine-4-carboxamide
CID 66465000
(3S)-1-(3-chloro-4-pyridinyl)-3-methylpentan-1-one
CID 97134527
(2S,3S)-2-[(3-chloropyridine-4-carbonyl)amino]-3-methylpentanoic acid
CID 66462208
N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)-3-pyrazol-1-ylbutanamide
CID 46993773

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)pyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)pyridine-4-carboxamide (CID 46992442) is 3-chloro-N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)pyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)pyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)pyridine-4-carboxamide is CCC(CC)n1nc(C)cc1NC(=O)c1ccncc1Cl.
What is the InChIKey of 3-chloro-N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)pyridine-4-carboxamide?
The InChIKey is HMFCKQUKNLEXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O/c1-4-11(5-2)20-14(8-10(3)19-20)18-15(21)12-6-7-17-9-13(12)16/h6-9,11H,4-5H2,1-3H3,(H,18,21).
What are the key properties of 3-chloro-N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)pyridine-4-carboxamide?
3-chloro-N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)pyridine-4-carboxamide has a molecular weight of 306.80 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)pyridine-4-carboxamide is sourced from PubChem (CID 46992442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).