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

C19H22F4N4OS — CID 166528599

IUPAC1-[(3,4-difluorocyclopentyl)methyl]-3-(1,1-difluoroethyl)-4-methyl-N-(2-methylsulfanyl-4-pyridinyl)pyrazole-5-carboxamide
SMILESCSc1cc(NC(=O)c2c(C)c(C(C)(F)F)nn2CC2CC(F)C(F)C2)ccn1
InChIInChI=1S/C19H22F4N4OS/c1-10-16(18(28)25-12-4-5-24-15(8-12)29-3)27(26-17(10)19(2,22)23)9-11-6-13(20)14(21)7-11/h4-5,8,11,13-14H,6-7,9H2,1-3H3,(H,24,25,28)
InChIKeyBESIICUDHUQSPY-UHFFFAOYSA-N
MW430.47 g/mol
LogP4.76
Rot. Bonds6

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

1-[(3,4-difluorocyclopentyl)methyl]-3-(1,1-difluoroethyl)-4-methyl-N-(2-methylsulfanyl-4-pyridinyl)pyrazole-5-carboxamide (PubChem CID 166528599) has the molecular formula C19H22F4N4OS and a molecular weight of 430.47 g/mol. Its IUPAC name is 1-[(3,4-difluorocyclopentyl)methyl]-3-(1,1-difluoroethyl)-4-methyl-N-(2-methylsulfanyl-4-pyridinyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-[(3,4-difluorocyclopentyl)methyl]-3-(1,1-difluoroethyl)-4-methyl-N-(2-methylsulfanyl-4-pyridinyl)pyrazole-5-carboxamide
PubChem CID166528599
Molecular FormulaC19H22F4N4OS
Molecular Weight430.47 g/mol
Exact Mass430.15
IUPAC Name1-[(3,4-difluorocyclopentyl)methyl]-3-(1,1-difluoroethyl)-4-methyl-N-(2-methylsulfanyl-4-pyridinyl)pyrazole-5-carboxamide
SMILESCSc1cc(NC(=O)c2c(C)c(C(C)(F)F)nn2CC2CC(F)C(F)C2)ccn1
InChIInChI=1S/C19H22F4N4OS/c1-10-16(18(28)25-12-4-5-24-15(8-12)29-3)27(26-17(10)19(2,22)23)9-11-6-13(20)14(21)7-11/h4-5,8,11,13-14H,6-7,9H2,1-3H3,(H,24,25,28)
InChIKeyBESIICUDHUQSPY-UHFFFAOYSA-N
XLogP4.76
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.47
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1R)-1-(3,3-difluorocyclobutyl)ethyl]-3-(1,1-difluoroethyl)-4-methyl-N-(2-methylsulfanyl-4-pyridinyl)pyrazole-5-carboxamide
CID 166528400
3-(1,1-difluoroethyl)-1-[[2-(difluoromethyl)cyclopropyl]methyl]-4-methyl-N-(2-methylsulfonyl-4-pyridinyl)pyrazole-5-carboxamide
CID 166528577
3-(1,1-difluoroethyl)-4-methyl-1-(spiro[2.3]hexan-6-ylmethyl)-N-(2-sulfamoyl-4-pyridinyl)pyrazole-5-carboxamide
CID 171772180
tert-butyl N-tert-butyl-N-[[4-[[3-(1,1-difluoroethyl)-1-[(1-methoxycyclopropyl)methyl]-4-methylpyrazole-5-carbonyl]amino]-2-pyridinyl]sulfanyl]carbamate
CID 167239813
1-[(3,3-difluoro-1-methylcyclobutyl)methyl]-3-(2-fluoropropan-2-yl)-N-(2-methylsulfanyl-4-pyridinyl)-4-(trifluoromethyl)pyrazole-5-carboxamide
CID 171800820
4-[[3-(1,1-difluoroethyl)-4-methyl-1-[[1-methyl-2-(trifluoromethyl)cyclopropyl]methyl]pyrazole-5-carbonyl]amino]pyridine-2-carboxamide
CID 171772144
4-[[3-(1,1-difluoroethyl)-1-[(3,3-difluoro-1-methylcyclobutyl)methyl]-4-methylpyrazole-5-carbonyl]amino]pyridine-2-carboxamide
CID 166528452
N-(3-aminosulfanylphenyl)-1-[[(1S)-3,3-difluorocyclopentyl]methyl]-3-(1,1-difluoroethyl)-4-methylpyrazole-5-carboxamide
CID 167239237
4-chloro-1-[(3,3-difluorocyclopentyl)methyl]-3-(1,1-difluoroethyl)-N-(2-methylsulfonyl-4-pyridinyl)pyrazole-5-carboxamide
CID 167334388
N-(2-aminosulfanyl-4-pyridinyl)-1,4-dimethyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 166528595
1-[(3,3-difluorocyclobutyl)methyl]-3-(1,1-difluoroethyl)-N-[2-(methylsulfonimidoyl)-4-pyridinyl]-4-(trifluoromethyl)pyrazole-5-carboxamide
CID 171800789
3-cyclopropyl-1-methyl-N-(2-methylsulfanyl-4-pyridinyl)-4-(trifluoromethyl)pyrazole-5-carboxamide;oxolane
CID 166528777

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-difluorocyclopentyl)methyl]-3-(1,1-difluoroethyl)-4-methyl-N-(2-methylsulfanyl-4-pyridinyl)pyrazole-5-carboxamide?
The IUPAC name of 1-[(3,4-difluorocyclopentyl)methyl]-3-(1,1-difluoroethyl)-4-methyl-N-(2-methylsulfanyl-4-pyridinyl)pyrazole-5-carboxamide (CID 166528599) is 1-[(3,4-difluorocyclopentyl)methyl]-3-(1,1-difluoroethyl)-4-methyl-N-(2-methylsulfanyl-4-pyridinyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-[(3,4-difluorocyclopentyl)methyl]-3-(1,1-difluoroethyl)-4-methyl-N-(2-methylsulfanyl-4-pyridinyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-[(3,4-difluorocyclopentyl)methyl]-3-(1,1-difluoroethyl)-4-methyl-N-(2-methylsulfanyl-4-pyridinyl)pyrazole-5-carboxamide is CSc1cc(NC(=O)c2c(C)c(C(C)(F)F)nn2CC2CC(F)C(F)C2)ccn1.
What is the InChIKey of 1-[(3,4-difluorocyclopentyl)methyl]-3-(1,1-difluoroethyl)-4-methyl-N-(2-methylsulfanyl-4-pyridinyl)pyrazole-5-carboxamide?
The InChIKey is BESIICUDHUQSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F4N4OS/c1-10-16(18(28)25-12-4-5-24-15(8-12)29-3)27(26-17(10)19(2,22)23)9-11-6-13(20)14(21)7-11/h4-5,8,11,13-14H,6-7,9H2,1-3H3,(H,24,25,28).
What are the key properties of 1-[(3,4-difluorocyclopentyl)methyl]-3-(1,1-difluoroethyl)-4-methyl-N-(2-methylsulfanyl-4-pyridinyl)pyrazole-5-carboxamide?
1-[(3,4-difluorocyclopentyl)methyl]-3-(1,1-difluoroethyl)-4-methyl-N-(2-methylsulfanyl-4-pyridinyl)pyrazole-5-carboxamide has a molecular weight of 430.47 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-difluorocyclopentyl)methyl]-3-(1,1-difluoroethyl)-4-methyl-N-(2-methylsulfanyl-4-pyridinyl)pyrazole-5-carboxamide is sourced from PubChem (CID 166528599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).