4-chloro-1-[(3,3-difluorocyclopentyl)methyl]-3-(1,1-difluoroethyl)-N-(2-methylsulfonyl-4-pyridinyl)pyrazole-5-carboxamide

C18H19ClF4N4O3S — CID 167334388

IUPAC4-chloro-1-[(3,3-difluorocyclopentyl)methyl]-3-(1,1-difluoroethyl)-N-(2-methylsulfonyl-4-pyridinyl)pyrazole-5-carboxamide
SMILESCC(F)(F)c1nn(CC2CCC(F)(F)C2)c(C(=O)Nc2ccnc(S(C)(=O)=O)c2)c1Cl
InChIInChI=1S/C18H19ClF4N4O3S/c1-17(20,21)15-13(19)14(27(26-15)9-10-3-5-18(22,23)8-10)16(28)25-11-4-6-24-12(7-11)31(2,29)30/h4,6-7,10H,3,5,8-9H2,1-2H3,(H,24,25,28)
InChIKeyGWCKAAWQGKIPKF-UHFFFAOYSA-N
MW482.89 g/mol
LogP4.13
Rot. Bonds6

About 4-chloro-1-[(3,3-difluorocyclopentyl)methyl]-3-(1,1-difluoroethyl)-N-(2-methylsulfonyl-4-pyridinyl)pyrazole-5-carboxamide

4-chloro-1-[(3,3-difluorocyclopentyl)methyl]-3-(1,1-difluoroethyl)-N-(2-methylsulfonyl-4-pyridinyl)pyrazole-5-carboxamide (PubChem CID 167334388) has the molecular formula C18H19ClF4N4O3S and a molecular weight of 482.89 g/mol. Its IUPAC name is 4-chloro-1-[(3,3-difluorocyclopentyl)methyl]-3-(1,1-difluoroethyl)-N-(2-methylsulfonyl-4-pyridinyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-1-[(3,3-difluorocyclopentyl)methyl]-3-(1,1-difluoroethyl)-N-(2-methylsulfonyl-4-pyridinyl)pyrazole-5-carboxamide
PubChem CID167334388
Molecular FormulaC18H19ClF4N4O3S
Molecular Weight482.89 g/mol
Exact Mass482.08
IUPAC Name4-chloro-1-[(3,3-difluorocyclopentyl)methyl]-3-(1,1-difluoroethyl)-N-(2-methylsulfonyl-4-pyridinyl)pyrazole-5-carboxamide
SMILESCC(F)(F)c1nn(CC2CCC(F)(F)C2)c(C(=O)Nc2ccnc(S(C)(=O)=O)c2)c1Cl
InChIInChI=1S/C18H19ClF4N4O3S/c1-17(20,21)15-13(19)14(27(26-15)9-10-3-5-18(22,23)8-10)16(28)25-11-4-6-24-12(7-11)31(2,29)30/h4,6-7,10H,3,5,8-9H2,1-2H3,(H,24,25,28)
InChIKeyGWCKAAWQGKIPKF-UHFFFAOYSA-N
XLogP4.13
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.89
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-[(3,3-difluorocyclobutyl)methyl]-3-(1,1-difluoroethyl)-N-[2-(methylsulfonimidoyl)-4-pyridinyl]-4-(trifluoromethyl)pyrazole-5-carboxamide
CID 171800789
3-(1,1-difluoroethyl)-4-methyl-1-(spiro[2.3]hexan-6-ylmethyl)-N-(2-sulfamoyl-4-pyridinyl)pyrazole-5-carboxamide
CID 171772180
3-(1,1-difluoroethyl)-1-[[2-(difluoromethyl)cyclopropyl]methyl]-4-methyl-N-(2-methylsulfonyl-4-pyridinyl)pyrazole-5-carboxamide
CID 166528577
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
4-[[1-[[(1S)-3,3-difluorocyclopentyl]methyl]-3-(difluoromethoxy)-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-2-carboxamide
CID 166528645
1-[(3,4-difluorocyclopentyl)methyl]-3-(1,1-difluoroethyl)-4-methyl-N-(2-methylsulfanyl-4-pyridinyl)pyrazole-5-carboxamide
CID 166528599
2-[(4,4-difluorocyclohexyl)methyl]-4,5-dimethyl-N-pyridin-4-ylpyrazole-3-carboxamide
CID 175828619
1-[(4,4-difluorocyclohexyl)methyl]-3-methyl-N-(3-methylsulfonylphenyl)-4-(trifluoromethyl)pyrazole-5-carboxamide
CID 166528600
4-[[3-(1,1-difluoroethyl)-4-methyl-1-[[1-methyl-2-(trifluoromethyl)cyclopropyl]methyl]pyrazole-5-carbonyl]amino]pyridine-2-carboxamide
CID 171772144
3-cyclopropyl-N-[2-(methylsulfonimidoyl)-4-pyridinyl]-1-(spiro[3.3]heptan-3-ylmethyl)-4-(trifluoromethyl)pyrazole-5-carboxamide
CID 171800484

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[(3,3-difluorocyclopentyl)methyl]-3-(1,1-difluoroethyl)-N-(2-methylsulfonyl-4-pyridinyl)pyrazole-5-carboxamide?
The IUPAC name of 4-chloro-1-[(3,3-difluorocyclopentyl)methyl]-3-(1,1-difluoroethyl)-N-(2-methylsulfonyl-4-pyridinyl)pyrazole-5-carboxamide (CID 167334388) is 4-chloro-1-[(3,3-difluorocyclopentyl)methyl]-3-(1,1-difluoroethyl)-N-(2-methylsulfonyl-4-pyridinyl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-1-[(3,3-difluorocyclopentyl)methyl]-3-(1,1-difluoroethyl)-N-(2-methylsulfonyl-4-pyridinyl)pyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-1-[(3,3-difluorocyclopentyl)methyl]-3-(1,1-difluoroethyl)-N-(2-methylsulfonyl-4-pyridinyl)pyrazole-5-carboxamide is CC(F)(F)c1nn(CC2CCC(F)(F)C2)c(C(=O)Nc2ccnc(S(C)(=O)=O)c2)c1Cl.
What is the InChIKey of 4-chloro-1-[(3,3-difluorocyclopentyl)methyl]-3-(1,1-difluoroethyl)-N-(2-methylsulfonyl-4-pyridinyl)pyrazole-5-carboxamide?
The InChIKey is GWCKAAWQGKIPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClF4N4O3S/c1-17(20,21)15-13(19)14(27(26-15)9-10-3-5-18(22,23)8-10)16(28)25-11-4-6-24-12(7-11)31(2,29)30/h4,6-7,10H,3,5,8-9H2,1-2H3,(H,24,25,28).
What are the key properties of 4-chloro-1-[(3,3-difluorocyclopentyl)methyl]-3-(1,1-difluoroethyl)-N-(2-methylsulfonyl-4-pyridinyl)pyrazole-5-carboxamide?
4-chloro-1-[(3,3-difluorocyclopentyl)methyl]-3-(1,1-difluoroethyl)-N-(2-methylsulfonyl-4-pyridinyl)pyrazole-5-carboxamide has a molecular weight of 482.89 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[(3,3-difluorocyclopentyl)methyl]-3-(1,1-difluoroethyl)-N-(2-methylsulfonyl-4-pyridinyl)pyrazole-5-carboxamide is sourced from PubChem (CID 167334388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).