N-(2-fluoro-4-methylphenyl)-3-pyridin-3-yl-1H-pyrazole-5-carboxamide

C16H13FN4O — CID 53014348

IUPACN-(2-fluoro-4-methylphenyl)-3-pyridin-3-yl-1H-pyrazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2cc(-c3cccnc3)n[nH]2)c(F)c1
InChIInChI=1S/C16H13FN4O/c1-10-4-5-13(12(17)7-10)19-16(22)15-8-14(20-21-15)11-3-2-6-18-9-11/h2-9H,1H3,(H,19,22)(H,20,21)
InChIKeyXVGIAQBIPIEHAO-UHFFFAOYSA-N
MW296.31 g/mol
LogP3.17
Rot. Bonds3

About N-(2-fluoro-4-methylphenyl)-3-pyridin-3-yl-1H-pyrazole-5-carboxamide

N-(2-fluoro-4-methylphenyl)-3-pyridin-3-yl-1H-pyrazole-5-carboxamide (PubChem CID 53014348) has the molecular formula C16H13FN4O and a molecular weight of 296.31 g/mol. Its IUPAC name is N-(2-fluoro-4-methylphenyl)-3-pyridin-3-yl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-fluoro-4-methylphenyl)-3-pyridin-3-yl-1H-pyrazole-5-carboxamide
PubChem CID53014348
Molecular FormulaC16H13FN4O
Molecular Weight296.31 g/mol
Exact Mass296.11
IUPAC NameN-(2-fluoro-4-methylphenyl)-3-pyridin-3-yl-1H-pyrazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2cc(-c3cccnc3)n[nH]2)c(F)c1
InChIInChI=1S/C16H13FN4O/c1-10-4-5-13(12(17)7-10)19-16(22)15-8-14(20-21-15)11-3-2-6-18-9-11/h2-9H,1H3,(H,19,22)(H,20,21)
InChIKeyXVGIAQBIPIEHAO-UHFFFAOYSA-N
XLogP3.17
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromo-4-methylphenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 45030513
N-(2-fluoro-5-methylphenyl)-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19509699
4-fluoro-N-[4-methyl-2-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide
CID 177190729
N-(2-methyl-4-pyridinyl)-3-pyridin-3-yl-1H-pyrazole-5-carboxamide
CID 110676539
3-(4-methylphenyl)-N-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 19510252
N-(2-fluoro-5-methylphenyl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19508782
N-(3-methylphenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 53087403
N-(4-carbamoylphenyl)-3-pyridin-3-yl-1H-pyrazole-5-carboxamide
CID 71828964
N-(3-bromophenyl)-3-pyridin-3-yl-1H-pyrazole-5-carboxamide
CID 53087479
3-(4-fluorophenyl)-N-(2-methoxy-5-methylphenyl)-1H-pyrazole-5-carboxamide
CID 19514461
3-(4-chlorophenyl)-N-(2,5-dimethylphenyl)-1H-pyrazole-5-carboxamide
CID 19509413
N-(5-methyl-2-pyridinyl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 17409371

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-methylphenyl)-3-pyridin-3-yl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(2-fluoro-4-methylphenyl)-3-pyridin-3-yl-1H-pyrazole-5-carboxamide (CID 53014348) is N-(2-fluoro-4-methylphenyl)-3-pyridin-3-yl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(2-fluoro-4-methylphenyl)-3-pyridin-3-yl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(2-fluoro-4-methylphenyl)-3-pyridin-3-yl-1H-pyrazole-5-carboxamide is Cc1ccc(NC(=O)c2cc(-c3cccnc3)n[nH]2)c(F)c1.
What is the InChIKey of N-(2-fluoro-4-methylphenyl)-3-pyridin-3-yl-1H-pyrazole-5-carboxamide?
The InChIKey is XVGIAQBIPIEHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O/c1-10-4-5-13(12(17)7-10)19-16(22)15-8-14(20-21-15)11-3-2-6-18-9-11/h2-9H,1H3,(H,19,22)(H,20,21).
What are the key properties of N-(2-fluoro-4-methylphenyl)-3-pyridin-3-yl-1H-pyrazole-5-carboxamide?
N-(2-fluoro-4-methylphenyl)-3-pyridin-3-yl-1H-pyrazole-5-carboxamide has a molecular weight of 296.31 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-methylphenyl)-3-pyridin-3-yl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 53014348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).