N-(4-methylsulfinylphenyl)-4-pyrazol-1-ylpyridine-2-carboxamide

C16H14N4O2S — CID 71994536

IUPACN-(4-methylsulfinylphenyl)-4-pyrazol-1-ylpyridine-2-carboxamide
SMILESCS(=O)c1ccc(NC(=O)c2cc(-n3cccn3)ccn2)cc1
InChIInChI=1S/C16H14N4O2S/c1-23(22)14-5-3-12(4-6-14)19-16(21)15-11-13(7-9-17-15)20-10-2-8-18-20/h2-11H,1H3,(H,19,21)
InChIKeyMEFSPQNEPPBCLY-UHFFFAOYSA-N
MW326.38 g/mol
LogP2.26
Rot. Bonds4

About N-(4-methylsulfinylphenyl)-4-pyrazol-1-ylpyridine-2-carboxamide

N-(4-methylsulfinylphenyl)-4-pyrazol-1-ylpyridine-2-carboxamide (PubChem CID 71994536) has the molecular formula C16H14N4O2S and a molecular weight of 326.38 g/mol. Its IUPAC name is N-(4-methylsulfinylphenyl)-4-pyrazol-1-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-methylsulfinylphenyl)-4-pyrazol-1-ylpyridine-2-carboxamide
PubChem CID71994536
Molecular FormulaC16H14N4O2S
Molecular Weight326.38 g/mol
Exact Mass326.08
IUPAC NameN-(4-methylsulfinylphenyl)-4-pyrazol-1-ylpyridine-2-carboxamide
SMILESCS(=O)c1ccc(NC(=O)c2cc(-n3cccn3)ccn2)cc1
InChIInChI=1S/C16H14N4O2S/c1-23(22)14-5-3-12(4-6-14)19-16(21)15-11-13(7-9-17-15)20-10-2-8-18-20/h2-11H,1H3,(H,19,21)
InChIKeyMEFSPQNEPPBCLY-UHFFFAOYSA-N
XLogP2.26
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(S)-methylsulfinyl]phenyl]-6-pyrazol-1-ylpyridine-2-carboxamide
CID 96565965
N-(4-pyrazol-1-ylphenyl)pyridine-2-carboxamide
CID 35275358
N-(4-methyl-3-oxopyrazin-2-yl)-4-pyrazol-1-ylpyridine-2-carboxamide
CID 71857660
N-(2-acetyl-5-fluorophenyl)-4-pyrazol-1-ylpyridine-2-carboxamide
CID 86788434
N-(2-amino-2-methylpropyl)-4-pyrazol-1-ylpyridine-2-carboxamide;dihydrochloride
CID 119626185
5-chloro-N-(4-pyrazol-1-ylphenyl)pyrazine-2-carboxamide
CID 107247017
5-bromo-N-(4-pyrazol-1-ylphenyl)pyridine-2-carboxamide
CID 62955085
N-[2-(methylamino)propyl]-4-pyrazol-1-ylpyridine-2-carboxamide
CID 120827316
2-fluoro-N-[4-[(R)-methylsulfinyl]phenyl]pyridine-4-carboxamide
CID 96565912
N-(3-aminopropyl)-4-pyrazol-1-ylpyridine-2-carboxamide
CID 119405198
N-(4-cyano-1-propan-2-ylpyrazol-3-yl)-4-pyrazol-1-ylpyridine-2-carboxamide
CID 71853024
2-prop-1-en-2-yl-4-pyrazol-1-ylpyridine
CID 175922908

Frequently Asked Questions

What is the IUPAC name of N-(4-methylsulfinylphenyl)-4-pyrazol-1-ylpyridine-2-carboxamide?
The IUPAC name of N-(4-methylsulfinylphenyl)-4-pyrazol-1-ylpyridine-2-carboxamide (CID 71994536) is N-(4-methylsulfinylphenyl)-4-pyrazol-1-ylpyridine-2-carboxamide.
What is the SMILES notation for N-(4-methylsulfinylphenyl)-4-pyrazol-1-ylpyridine-2-carboxamide?
The canonical SMILES for N-(4-methylsulfinylphenyl)-4-pyrazol-1-ylpyridine-2-carboxamide is CS(=O)c1ccc(NC(=O)c2cc(-n3cccn3)ccn2)cc1.
What is the InChIKey of N-(4-methylsulfinylphenyl)-4-pyrazol-1-ylpyridine-2-carboxamide?
The InChIKey is MEFSPQNEPPBCLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2S/c1-23(22)14-5-3-12(4-6-14)19-16(21)15-11-13(7-9-17-15)20-10-2-8-18-20/h2-11H,1H3,(H,19,21).
What are the key properties of N-(4-methylsulfinylphenyl)-4-pyrazol-1-ylpyridine-2-carboxamide?
N-(4-methylsulfinylphenyl)-4-pyrazol-1-ylpyridine-2-carboxamide has a molecular weight of 326.38 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylsulfinylphenyl)-4-pyrazol-1-ylpyridine-2-carboxamide is sourced from PubChem (CID 71994536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).