N-(5-fluoro-6-methyl-2-pyridinyl)-5-(4-fluorophenyl)-1,4-dimethylpyrazole-3-carboxamide

C18H16F2N4O — CID 71580125

IUPACN-(5-fluoro-6-methyl-2-pyridinyl)-5-(4-fluorophenyl)-1,4-dimethylpyrazole-3-carboxamide
SMILESCc1nc(NC(=O)c2nn(C)c(-c3ccc(F)cc3)c2C)ccc1F
InChIInChI=1S/C18H16F2N4O/c1-10-16(18(25)22-15-9-8-14(20)11(2)21-15)23-24(3)17(10)12-4-6-13(19)7-5-12/h4-9H,1-3H3,(H,21,22,25)
InChIKeyBCMXQWFCCMIMID-UHFFFAOYSA-N
MW342.35 g/mol
LogP3.63
Rot. Bonds3

About N-(5-fluoro-6-methyl-2-pyridinyl)-5-(4-fluorophenyl)-1,4-dimethylpyrazole-3-carboxamide

N-(5-fluoro-6-methyl-2-pyridinyl)-5-(4-fluorophenyl)-1,4-dimethylpyrazole-3-carboxamide (PubChem CID 71580125) has the molecular formula C18H16F2N4O and a molecular weight of 342.35 g/mol. Its IUPAC name is N-(5-fluoro-6-methyl-2-pyridinyl)-5-(4-fluorophenyl)-1,4-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(5-fluoro-6-methyl-2-pyridinyl)-5-(4-fluorophenyl)-1,4-dimethylpyrazole-3-carboxamide
PubChem CID71580125
Molecular FormulaC18H16F2N4O
Molecular Weight342.35 g/mol
Exact Mass342.13
IUPAC NameN-(5-fluoro-6-methyl-2-pyridinyl)-5-(4-fluorophenyl)-1,4-dimethylpyrazole-3-carboxamide
SMILESCc1nc(NC(=O)c2nn(C)c(-c3ccc(F)cc3)c2C)ccc1F
InChIInChI=1S/C18H16F2N4O/c1-10-16(18(25)22-15-9-8-14(20)11(2)21-15)23-24(3)17(10)12-4-6-13(19)7-5-12/h4-9H,1-3H3,(H,21,22,25)
InChIKeyBCMXQWFCCMIMID-UHFFFAOYSA-N
XLogP3.63
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-[3-methyl-1-(3-methylbenzyl)-1H-pyrazol-5-yl]benzamide
CID 1510958
N-cyclohexyl-1-(2,4-difluorophenyl)-5-(2,5-dimethyl-1H-pyrrol-1-yl)-4-methyl-1H-pyrazole-3-carboxamide
CID 24768483
1-(2,4-difluorophenyl)-5-(2,5-dimethylpyrrol-1-yl)-N-heptyl-4-methylpyrazole-3-carboxamide
CID 50907708
3-fluoro-N-[1-(4-fluorobenzyl)-3-methyl-1H-pyrazol-5-yl]benzamide
CID 1510447
5-phenyl-N-propyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1924550
Phenyl-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
CID 10499712
(3-Methylphenyl)-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
CID 10644061
Pyridine-2-carboxylic acid (2,5-diphenyl-2H-pyrazol-3-yl)-amide
CID 11405070
N-(6-(3-(pyridin-3-yl)-5-(trifluoromethyl)-1H-pyrazol-1-yl)pyridin-3-yl)benzamide
CID 17748379
N-(5-(3-(pyridin-3-yl)-5-(trifluoromethyl)-1H-pyrazol-1-yl)pyrazin-2-yl)benzamide
CID 52946747
US9586948, Example 1
CID 117871929
US9586948, Example 3
CID 117872250

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-6-methyl-2-pyridinyl)-5-(4-fluorophenyl)-1,4-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-(5-fluoro-6-methyl-2-pyridinyl)-5-(4-fluorophenyl)-1,4-dimethylpyrazole-3-carboxamide (CID 71580125) is N-(5-fluoro-6-methyl-2-pyridinyl)-5-(4-fluorophenyl)-1,4-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-(5-fluoro-6-methyl-2-pyridinyl)-5-(4-fluorophenyl)-1,4-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-(5-fluoro-6-methyl-2-pyridinyl)-5-(4-fluorophenyl)-1,4-dimethylpyrazole-3-carboxamide is Cc1nc(NC(=O)c2nn(C)c(-c3ccc(F)cc3)c2C)ccc1F.
What is the InChIKey of N-(5-fluoro-6-methyl-2-pyridinyl)-5-(4-fluorophenyl)-1,4-dimethylpyrazole-3-carboxamide?
The InChIKey is BCMXQWFCCMIMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N4O/c1-10-16(18(25)22-15-9-8-14(20)11(2)21-15)23-24(3)17(10)12-4-6-13(19)7-5-12/h4-9H,1-3H3,(H,21,22,25).
What are the key properties of N-(5-fluoro-6-methyl-2-pyridinyl)-5-(4-fluorophenyl)-1,4-dimethylpyrazole-3-carboxamide?
N-(5-fluoro-6-methyl-2-pyridinyl)-5-(4-fluorophenyl)-1,4-dimethylpyrazole-3-carboxamide has a molecular weight of 342.35 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-6-methyl-2-pyridinyl)-5-(4-fluorophenyl)-1,4-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 71580125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).