1-(2,4-difluorophenyl)-5-methyl-N-(5-pyridin-2-yl-2-pyridinyl)pyrazole-3-carboxamide

C21H15F2N5O — CID 75470170

IUPAC1-(2,4-difluorophenyl)-5-methyl-N-(5-pyridin-2-yl-2-pyridinyl)pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(-c3ccccn3)cn2)nn1-c1ccc(F)cc1F
InChIInChI=1S/C21H15F2N5O/c1-13-10-18(27-28(13)19-7-6-15(22)11-16(19)23)21(29)26-20-8-5-14(12-25-20)17-4-2-3-9-24-17/h2-12H,1H3,(H,25,26,29)
InChIKeyHQHPPOBBBUEVKO-UHFFFAOYSA-N
MW391.38 g/mol
LogP4.17
Rot. Bonds4

About 1-(2,4-difluorophenyl)-5-methyl-N-(5-pyridin-2-yl-2-pyridinyl)pyrazole-3-carboxamide

1-(2,4-difluorophenyl)-5-methyl-N-(5-pyridin-2-yl-2-pyridinyl)pyrazole-3-carboxamide (PubChem CID 75470170) has the molecular formula C21H15F2N5O and a molecular weight of 391.38 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-5-methyl-N-(5-pyridin-2-yl-2-pyridinyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-5-methyl-N-(5-pyridin-2-yl-2-pyridinyl)pyrazole-3-carboxamide
PubChem CID75470170
Molecular FormulaC21H15F2N5O
Molecular Weight391.38 g/mol
Exact Mass391.12
IUPAC Name1-(2,4-difluorophenyl)-5-methyl-N-(5-pyridin-2-yl-2-pyridinyl)pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(-c3ccccn3)cn2)nn1-c1ccc(F)cc1F
InChIInChI=1S/C21H15F2N5O/c1-13-10-18(27-28(13)19-7-6-15(22)11-16(19)23)21(29)26-20-8-5-14(12-25-20)17-4-2-3-9-24-17/h2-12H,1H3,(H,25,26,29)
InChIKeyHQHPPOBBBUEVKO-UHFFFAOYSA-N
XLogP4.17
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.38
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(cyclopropanecarbonylamino)-3-pyridinyl]-1-(2,4-difluorophenyl)-5-methylpyrazole-3-carboxamide
CID 99625384
1-(2,4-difluorophenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-5-methylpyrazole-3-carboxamide
CID 167870149
N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 146125638
N-(3-cyclobutyl-1-methylpyrazol-5-yl)-1-(2,4-difluorophenyl)-5-methylpyrazole-3-carboxamide
CID 99632374
N-[1-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]thiophene-2-carboxamide
CID 42880596
N-[1-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]-2-(4-methylpiperazin-1-yl)benzamide
CID 166210339
N-[1-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]-2-(3-fluoro-2-pyridinyl)spiro[2.2]pentane-2-carboxamide
CID 135316097
5-hydroxy-N-(5-pyridin-2-yl-2-pyridinyl)pyridine-3-carboxamide
CID 75435832
N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146123159
1-(2,4-difluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl chloride
CID 82421548
N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 86941996
1-(2-fluorophenyl)-5-methyl-N-(2-morpholin-4-ylphenyl)pyrazole-3-carboxamide
CID 110425327

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-5-methyl-N-(5-pyridin-2-yl-2-pyridinyl)pyrazole-3-carboxamide?
The IUPAC name of 1-(2,4-difluorophenyl)-5-methyl-N-(5-pyridin-2-yl-2-pyridinyl)pyrazole-3-carboxamide (CID 75470170) is 1-(2,4-difluorophenyl)-5-methyl-N-(5-pyridin-2-yl-2-pyridinyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(2,4-difluorophenyl)-5-methyl-N-(5-pyridin-2-yl-2-pyridinyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(2,4-difluorophenyl)-5-methyl-N-(5-pyridin-2-yl-2-pyridinyl)pyrazole-3-carboxamide is Cc1cc(C(=O)Nc2ccc(-c3ccccn3)cn2)nn1-c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-5-methyl-N-(5-pyridin-2-yl-2-pyridinyl)pyrazole-3-carboxamide?
The InChIKey is HQHPPOBBBUEVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F2N5O/c1-13-10-18(27-28(13)19-7-6-15(22)11-16(19)23)21(29)26-20-8-5-14(12-25-20)17-4-2-3-9-24-17/h2-12H,1H3,(H,25,26,29).
What are the key properties of 1-(2,4-difluorophenyl)-5-methyl-N-(5-pyridin-2-yl-2-pyridinyl)pyrazole-3-carboxamide?
1-(2,4-difluorophenyl)-5-methyl-N-(5-pyridin-2-yl-2-pyridinyl)pyrazole-3-carboxamide has a molecular weight of 391.38 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-5-methyl-N-(5-pyridin-2-yl-2-pyridinyl)pyrazole-3-carboxamide is sourced from PubChem (CID 75470170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).