2-[(4,4-difluorocyclohexyl)methyl]-4,5-dimethyl-N-pyridin-4-ylpyrazole-3-carboxamide

C18H22F2N4O — CID 175828619

IUPAC2-[(4,4-difluorocyclohexyl)methyl]-4,5-dimethyl-N-pyridin-4-ylpyrazole-3-carboxamide
SMILESCc1nn(CC2CCC(F)(F)CC2)c(C(=O)Nc2ccncc2)c1C
InChIInChI=1S/C18H22F2N4O/c1-12-13(2)23-24(11-14-3-7-18(19,20)8-4-14)16(12)17(25)22-15-5-9-21-10-6-15/h5-6,9-10,14H,3-4,7-8,11H2,1-2H3,(H,21,22,25)
InChIKeyXWRZRIPDDAMVOX-UHFFFAOYSA-N
MW348.40 g/mol
LogP3.97
Rot. Bonds4

About 2-[(4,4-difluorocyclohexyl)methyl]-4,5-dimethyl-N-pyridin-4-ylpyrazole-3-carboxamide

2-[(4,4-difluorocyclohexyl)methyl]-4,5-dimethyl-N-pyridin-4-ylpyrazole-3-carboxamide (PubChem CID 175828619) has the molecular formula C18H22F2N4O and a molecular weight of 348.40 g/mol. Its IUPAC name is 2-[(4,4-difluorocyclohexyl)methyl]-4,5-dimethyl-N-pyridin-4-ylpyrazole-3-carboxamide.

Molecular Properties

Compound Name2-[(4,4-difluorocyclohexyl)methyl]-4,5-dimethyl-N-pyridin-4-ylpyrazole-3-carboxamide
PubChem CID175828619
Molecular FormulaC18H22F2N4O
Molecular Weight348.40 g/mol
Exact Mass348.18
IUPAC Name2-[(4,4-difluorocyclohexyl)methyl]-4,5-dimethyl-N-pyridin-4-ylpyrazole-3-carboxamide
SMILESCc1nn(CC2CCC(F)(F)CC2)c(C(=O)Nc2ccncc2)c1C
InChIInChI=1S/C18H22F2N4O/c1-12-13(2)23-24(11-14-3-7-18(19,20)8-4-14)16(12)17(25)22-15-5-9-21-10-6-15/h5-6,9-10,14H,3-4,7-8,11H2,1-2H3,(H,21,22,25)
InChIKeyXWRZRIPDDAMVOX-UHFFFAOYSA-N
XLogP3.97
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4,4-difluorocyclohexyl)methyl]-3-methyl-N-(2-methylsulfonyl-4-pyridinyl)-4-(trifluoromethyl)pyrazole-5-carboxamide
CID 167239583
1-[(4,4-difluorocyclohexyl)methyl]-3-methyl-N-(3-methylsulfonylphenyl)-4-(trifluoromethyl)pyrazole-5-carboxamide
CID 166528600
N-(3-aminosulfanylphenyl)-1-[(4,4-difluorocyclohexyl)methyl]-4-(difluoromethyl)-3-methylpyrazole-5-carboxamide
CID 166528879
methyl 4-[[1-[(4,4-difluorocyclohexyl)methyl]-3-methyl-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]-3-methylpyridine-2-carboxylate
CID 166528486
5-[[1-[(4,4-difluorocyclohexyl)methyl]-3-methyl-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridazine-3-carboxamide
CID 166528496
2-[(4,4-difluorocyclohexyl)methyl]-N-(2-oxo-1H-pyridin-4-yl)indazole-3-carboxamide
CID 171772015
1-[(4,4-difluorocyclohexyl)methyl]-3-(difluoromethyl)-4-methylpyrazole-5-carboxylic acid
CID 166528916
N-(3-aminosulfanylphenyl)-1-[[(1S)-3,3-difluorocyclopentyl]methyl]-3-(1,1-difluoroethyl)-4-methylpyrazole-5-carboxamide
CID 167239237
3-cyclopropyl-1-[(4,4-difluorocyclohexyl)methyl]-N-(2-sulfamoyl-4-pyridinyl)-4-(trifluoromethyl)pyrazole-5-carboxamide
CID 167334433
5-[[1-[(3,3-difluorocyclopentyl)methyl]-3-methyl-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-3-carboxamide
CID 172751835
4-[[5-cyclopropyl-4-methyl-2-(oxan-4-ylmethyl)pyrazole-3-carbonyl]amino]-N-methylpyridine-2-carboxamide;ethane
CID 166528438
4-chloro-1-[(3,3-difluorocyclopentyl)methyl]-3-(1,1-difluoroethyl)-N-(2-methylsulfonyl-4-pyridinyl)pyrazole-5-carboxamide
CID 167334388

Frequently Asked Questions

What is the IUPAC name of 2-[(4,4-difluorocyclohexyl)methyl]-4,5-dimethyl-N-pyridin-4-ylpyrazole-3-carboxamide?
The IUPAC name of 2-[(4,4-difluorocyclohexyl)methyl]-4,5-dimethyl-N-pyridin-4-ylpyrazole-3-carboxamide (CID 175828619) is 2-[(4,4-difluorocyclohexyl)methyl]-4,5-dimethyl-N-pyridin-4-ylpyrazole-3-carboxamide.
What is the SMILES notation for 2-[(4,4-difluorocyclohexyl)methyl]-4,5-dimethyl-N-pyridin-4-ylpyrazole-3-carboxamide?
The canonical SMILES for 2-[(4,4-difluorocyclohexyl)methyl]-4,5-dimethyl-N-pyridin-4-ylpyrazole-3-carboxamide is Cc1nn(CC2CCC(F)(F)CC2)c(C(=O)Nc2ccncc2)c1C.
What is the InChIKey of 2-[(4,4-difluorocyclohexyl)methyl]-4,5-dimethyl-N-pyridin-4-ylpyrazole-3-carboxamide?
The InChIKey is XWRZRIPDDAMVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F2N4O/c1-12-13(2)23-24(11-14-3-7-18(19,20)8-4-14)16(12)17(25)22-15-5-9-21-10-6-15/h5-6,9-10,14H,3-4,7-8,11H2,1-2H3,(H,21,22,25).
What are the key properties of 2-[(4,4-difluorocyclohexyl)methyl]-4,5-dimethyl-N-pyridin-4-ylpyrazole-3-carboxamide?
2-[(4,4-difluorocyclohexyl)methyl]-4,5-dimethyl-N-pyridin-4-ylpyrazole-3-carboxamide has a molecular weight of 348.40 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,4-difluorocyclohexyl)methyl]-4,5-dimethyl-N-pyridin-4-ylpyrazole-3-carboxamide is sourced from PubChem (CID 175828619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).