5-(5-chloro-2-methyl-3-pyridinyl)-N-(3-fluoro-4-pyridinyl)-1-methylpyrazole-3-carboxamide

C16H13ClFN5O — CID 118130754

IUPAC5-(5-chloro-2-methyl-3-pyridinyl)-N-(3-fluoro-4-pyridinyl)-1-methylpyrazole-3-carboxamide
SMILESCc1ncc(Cl)cc1-c1cc(C(=O)Nc2ccncc2F)nn1C
InChIInChI=1S/C16H13ClFN5O/c1-9-11(5-10(17)7-20-9)15-6-14(22-23(15)2)16(24)21-13-3-4-19-8-12(13)18/h3-8H,1-2H3,(H,19,21,24)
InChIKeyYDWLBYFLSASIJD-UHFFFAOYSA-N
MW345.77 g/mol
LogP3.23
Rot. Bonds3

About 5-(5-chloro-2-methyl-3-pyridinyl)-N-(3-fluoro-4-pyridinyl)-1-methylpyrazole-3-carboxamide

5-(5-chloro-2-methyl-3-pyridinyl)-N-(3-fluoro-4-pyridinyl)-1-methylpyrazole-3-carboxamide (PubChem CID 118130754) has the molecular formula C16H13ClFN5O and a molecular weight of 345.77 g/mol. Its IUPAC name is 5-(5-chloro-2-methyl-3-pyridinyl)-N-(3-fluoro-4-pyridinyl)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(5-chloro-2-methyl-3-pyridinyl)-N-(3-fluoro-4-pyridinyl)-1-methylpyrazole-3-carboxamide
PubChem CID118130754
Molecular FormulaC16H13ClFN5O
Molecular Weight345.77 g/mol
Exact Mass345.08
IUPAC Name5-(5-chloro-2-methyl-3-pyridinyl)-N-(3-fluoro-4-pyridinyl)-1-methylpyrazole-3-carboxamide
SMILESCc1ncc(Cl)cc1-c1cc(C(=O)Nc2ccncc2F)nn1C
InChIInChI=1S/C16H13ClFN5O/c1-9-11(5-10(17)7-20-9)15-6-14(22-23(15)2)16(24)21-13-3-4-19-8-12(13)18/h3-8H,1-2H3,(H,19,21,24)
InChIKeyYDWLBYFLSASIJD-UHFFFAOYSA-N
XLogP3.23
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.77
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chlorophenyl)-5-(2,5-dimethylthiophen-3-yl)-1-methylpyrazole-3-carboxamide
CID 42878933
2,6-dichloro-N-(3-fluoro-4-pyridinyl)pyridine-4-carboxamide
CID 113342448
1-(2-aminoethyl)-N-(3-fluoro-4-pyridinyl)imidazole-4-carboxamide
CID 107595032
N-(3-fluoro-4-pyridinyl)-5-hydrazinylpyridine-2-carboxamide
CID 107595556
N-(3-fluoro-4-pyridinyl)-5-(propylamino)pyridine-2-carboxamide
CID 107595450
N-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide
CID 110299582
3-N,5-N-bis(3,4-difluorophenyl)-1-methylpyrazole-3,5-dicarboxamide
CID 29097127
N-(2-fluorophenyl)-1-methyl-5-thiophen-2-ylpyrazole-3-carboxamide
CID 110336071
3-bromo-5-chloro-N-(3-fluoro-4-pyridinyl)benzamide
CID 113343068
5-amino-N-(2-fluoro-4-methylphenyl)-1-methylpyrazole-3-carboxamide
CID 122171424
5-chloro-N-(3-fluoro-4-pyridinyl)-6-(methylamino)pyridine-3-carboxamide
CID 107595440
5-(5-chloro-3-fluoro-2-hydroxyphenyl)-1-methylpyrazole-3-carboxylic acid
CID 136992126

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-2-methyl-3-pyridinyl)-N-(3-fluoro-4-pyridinyl)-1-methylpyrazole-3-carboxamide?
The IUPAC name of 5-(5-chloro-2-methyl-3-pyridinyl)-N-(3-fluoro-4-pyridinyl)-1-methylpyrazole-3-carboxamide (CID 118130754) is 5-(5-chloro-2-methyl-3-pyridinyl)-N-(3-fluoro-4-pyridinyl)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 5-(5-chloro-2-methyl-3-pyridinyl)-N-(3-fluoro-4-pyridinyl)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 5-(5-chloro-2-methyl-3-pyridinyl)-N-(3-fluoro-4-pyridinyl)-1-methylpyrazole-3-carboxamide is Cc1ncc(Cl)cc1-c1cc(C(=O)Nc2ccncc2F)nn1C.
What is the InChIKey of 5-(5-chloro-2-methyl-3-pyridinyl)-N-(3-fluoro-4-pyridinyl)-1-methylpyrazole-3-carboxamide?
The InChIKey is YDWLBYFLSASIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN5O/c1-9-11(5-10(17)7-20-9)15-6-14(22-23(15)2)16(24)21-13-3-4-19-8-12(13)18/h3-8H,1-2H3,(H,19,21,24).
What are the key properties of 5-(5-chloro-2-methyl-3-pyridinyl)-N-(3-fluoro-4-pyridinyl)-1-methylpyrazole-3-carboxamide?
5-(5-chloro-2-methyl-3-pyridinyl)-N-(3-fluoro-4-pyridinyl)-1-methylpyrazole-3-carboxamide has a molecular weight of 345.77 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-2-methyl-3-pyridinyl)-N-(3-fluoro-4-pyridinyl)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 118130754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).