5-(4-fluorophenyl)-1,4-dimethyl-N-(5-methyl-2-pyridinyl)pyrazole-3-carboxamide

C18H17FN4O — CID 71580121

IUPAC5-(4-fluorophenyl)-1,4-dimethyl-N-(5-methyl-2-pyridinyl)pyrazole-3-carboxamide
SMILESCc1ccc(NC(=O)c2nn(C)c(-c3ccc(F)cc3)c2C)nc1
InChIInChI=1S/C18H17FN4O/c1-11-4-9-15(20-10-11)21-18(24)16-12(2)17(23(3)22-16)13-5-7-14(19)8-6-13/h4-10H,1-3H3,(H,20,21,24)
InChIKeyVOZTVDTYJWDULD-UHFFFAOYSA-N
MW324.36 g/mol
LogP3.49
Rot. Bonds3

About 5-(4-fluorophenyl)-1,4-dimethyl-N-(5-methyl-2-pyridinyl)pyrazole-3-carboxamide

5-(4-fluorophenyl)-1,4-dimethyl-N-(5-methyl-2-pyridinyl)pyrazole-3-carboxamide (PubChem CID 71580121) has the molecular formula C18H17FN4O and a molecular weight of 324.36 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-1,4-dimethyl-N-(5-methyl-2-pyridinyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-1,4-dimethyl-N-(5-methyl-2-pyridinyl)pyrazole-3-carboxamide
PubChem CID71580121
Molecular FormulaC18H17FN4O
Molecular Weight324.36 g/mol
Exact Mass324.14
IUPAC Name5-(4-fluorophenyl)-1,4-dimethyl-N-(5-methyl-2-pyridinyl)pyrazole-3-carboxamide
SMILESCc1ccc(NC(=O)c2nn(C)c(-c3ccc(F)cc3)c2C)nc1
InChIInChI=1S/C18H17FN4O/c1-11-4-9-15(20-10-11)21-18(24)16-12(2)17(23(3)22-16)13-5-7-14(19)8-6-13/h4-10H,1-3H3,(H,20,21,24)
InChIKeyVOZTVDTYJWDULD-UHFFFAOYSA-N
XLogP3.49
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Mivavotinib
CID 53252276
(R)-2-(((S)-2-(4-Cyanophenyl)propyl)amino)-N-(5-(1-methyl-1H-pyrazol-4-yl)pyridin-2-yl)-2-phenylacetamide
CID 146014965
(2R)-2-{[2-(4-cyanophenyl)ethyl]amino}-N-[5-(1-methyl-1H-pyrazol-4-yl)pyridin-2-yl]-2-phenylacetamide
CID 146014966
2-anilino-4-(1H-pyrrol-3-yl) pyrimidine deriv. 8i
CID 6539313
Takeda103A
CID 11155477
Pyrazolo[4,3-h]quinazoline-3-carboxamide, 20
CID 11486283
6-cyclopropyl-N-[1-(4-fluorophenyl)pyrazol-3-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53328249
6-cyclopropyl-N-[3-(methylcarbamoyl)-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 58548263
N-(3-carbamoyl-1-methylpyrazol-4-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 58548277
6-cyclopropyl-N-[3-(methylcarbamoyl)-1-(3,3,3-trifluoropropyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 58548296
5-N-[2-(3-fluorophenyl)imidazo[1,2-a]pyrimidin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide
CID 69936421
6-cyclopropyl-N-[3-(dimethylcarbamoyl)-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 84973158

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-1,4-dimethyl-N-(5-methyl-2-pyridinyl)pyrazole-3-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-1,4-dimethyl-N-(5-methyl-2-pyridinyl)pyrazole-3-carboxamide (CID 71580121) is 5-(4-fluorophenyl)-1,4-dimethyl-N-(5-methyl-2-pyridinyl)pyrazole-3-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-1,4-dimethyl-N-(5-methyl-2-pyridinyl)pyrazole-3-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-1,4-dimethyl-N-(5-methyl-2-pyridinyl)pyrazole-3-carboxamide is Cc1ccc(NC(=O)c2nn(C)c(-c3ccc(F)cc3)c2C)nc1.
What is the InChIKey of 5-(4-fluorophenyl)-1,4-dimethyl-N-(5-methyl-2-pyridinyl)pyrazole-3-carboxamide?
The InChIKey is VOZTVDTYJWDULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O/c1-11-4-9-15(20-10-11)21-18(24)16-12(2)17(23(3)22-16)13-5-7-14(19)8-6-13/h4-10H,1-3H3,(H,20,21,24).
What are the key properties of 5-(4-fluorophenyl)-1,4-dimethyl-N-(5-methyl-2-pyridinyl)pyrazole-3-carboxamide?
5-(4-fluorophenyl)-1,4-dimethyl-N-(5-methyl-2-pyridinyl)pyrazole-3-carboxamide has a molecular weight of 324.36 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-1,4-dimethyl-N-(5-methyl-2-pyridinyl)pyrazole-3-carboxamide is sourced from PubChem (CID 71580121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).