2-cyclopropyl-N-[3-(2,4-difluorophenyl)-1-methylpyrazol-5-yl]-6-methylpyridine-3-carboxamide

C20H18F2N4O — CID 167889721

IUPAC2-cyclopropyl-N-[3-(2,4-difluorophenyl)-1-methylpyrazol-5-yl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2cc(-c3ccc(F)cc3F)nn2C)c(C2CC2)n1
InChIInChI=1S/C20H18F2N4O/c1-11-3-7-15(19(23-11)12-4-5-12)20(27)24-18-10-17(25-26(18)2)14-8-6-13(21)9-16(14)22/h3,6-10,12H,4-5H2,1-2H3,(H,24,27)
InChIKeyVQSYNSJTCNAAQE-UHFFFAOYSA-N
MW368.39 g/mol
LogP4.20
Rot. Bonds4

About 2-cyclopropyl-N-[3-(2,4-difluorophenyl)-1-methylpyrazol-5-yl]-6-methylpyridine-3-carboxamide

2-cyclopropyl-N-[3-(2,4-difluorophenyl)-1-methylpyrazol-5-yl]-6-methylpyridine-3-carboxamide (PubChem CID 167889721) has the molecular formula C20H18F2N4O and a molecular weight of 368.39 g/mol. Its IUPAC name is 2-cyclopropyl-N-[3-(2,4-difluorophenyl)-1-methylpyrazol-5-yl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[3-(2,4-difluorophenyl)-1-methylpyrazol-5-yl]-6-methylpyridine-3-carboxamide
PubChem CID167889721
Molecular FormulaC20H18F2N4O
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC Name2-cyclopropyl-N-[3-(2,4-difluorophenyl)-1-methylpyrazol-5-yl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2cc(-c3ccc(F)cc3F)nn2C)c(C2CC2)n1
InChIInChI=1S/C20H18F2N4O/c1-11-3-7-15(19(23-11)12-4-5-12)20(27)24-18-10-17(25-26(18)2)14-8-6-13(21)9-16(14)22/h3,6-10,12H,4-5H2,1-2H3,(H,24,27)
InChIKeyVQSYNSJTCNAAQE-UHFFFAOYSA-N
XLogP4.20
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-methyl-3-phenylpyrazol-5-yl)benzamide
CID 2814962
3-fluoro-N-[3-methyl-1-(3-methylbenzyl)-1H-pyrazol-5-yl]benzamide
CID 1510958
3-fluoro-N-[1-(4-fluorobenzyl)-3-methyl-1H-pyrazol-5-yl]benzamide
CID 1510447
N-(2,4-difluorophenyl)-6-(1H-pyrazol-1-yl)nicotinamide
CID 3567091
2-[[2-[(2,5-dimethylpyrazol-3-yl)amino]-5-(trifluoromethyl)-4-pyridyl]amino]-4-fluoro-N-methyl-benzamide
CID 56951292
5-(4-Fluorophenyl)-1-methyl-3-phenylacetylamino-4-(4-pyridyl)pyrazole
CID 69692723
2-(6-cyclopropyl-3-pyridinyl)-N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]acetamide
CID 118560466
3-[3,5-dimethyl-1-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-1H-pyrazol-4-yl]-N-(6-methylpyridin-2-yl)propanamide
CID 135885904
N-(4-acetylphenyl)-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 997125
(R)-3-amino-N-(5-(3-(aminomethyl)piperidin-1-yl)-1-methyl-1H-pyrazol-4-yl)-6-(2-fluorophenyl)picolinamide
CID 53482486
3-amino-N-[5-(4-amino-5-fluoroazepan-1-yl)-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)pyridine-2-carboxamide
CID 74983153
US11731943, Example 227
CID 132100665

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[3-(2,4-difluorophenyl)-1-methylpyrazol-5-yl]-6-methylpyridine-3-carboxamide?
The IUPAC name of 2-cyclopropyl-N-[3-(2,4-difluorophenyl)-1-methylpyrazol-5-yl]-6-methylpyridine-3-carboxamide (CID 167889721) is 2-cyclopropyl-N-[3-(2,4-difluorophenyl)-1-methylpyrazol-5-yl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-[3-(2,4-difluorophenyl)-1-methylpyrazol-5-yl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-[3-(2,4-difluorophenyl)-1-methylpyrazol-5-yl]-6-methylpyridine-3-carboxamide is Cc1ccc(C(=O)Nc2cc(-c3ccc(F)cc3F)nn2C)c(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-N-[3-(2,4-difluorophenyl)-1-methylpyrazol-5-yl]-6-methylpyridine-3-carboxamide?
The InChIKey is VQSYNSJTCNAAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N4O/c1-11-3-7-15(19(23-11)12-4-5-12)20(27)24-18-10-17(25-26(18)2)14-8-6-13(21)9-16(14)22/h3,6-10,12H,4-5H2,1-2H3,(H,24,27).
What are the key properties of 2-cyclopropyl-N-[3-(2,4-difluorophenyl)-1-methylpyrazol-5-yl]-6-methylpyridine-3-carboxamide?
2-cyclopropyl-N-[3-(2,4-difluorophenyl)-1-methylpyrazol-5-yl]-6-methylpyridine-3-carboxamide has a molecular weight of 368.39 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[3-(2,4-difluorophenyl)-1-methylpyrazol-5-yl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 167889721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).