(1R)-3-(2-chloro-4-pyrazol-1-ylphenyl)sulfonyl-N-(1-cyanocyclopropyl)cyclopentane-1-carboxamide

C19H19ClN4O3S — CID 90125781

IUPAC(1R)-3-(2-chloro-4-pyrazol-1-ylphenyl)sulfonyl-N-(1-cyanocyclopropyl)cyclopentane-1-carboxamide
SMILESN#CC1(NC(=O)[C@@H]2CCC(S(=O)(=O)c3ccc(-n4cccn4)cc3Cl)C2)CC1
InChIInChI=1S/C19H19ClN4O3S/c20-16-11-14(24-9-1-8-22-24)3-5-17(16)28(26,27)15-4-2-13(10-15)18(25)23-19(12-21)6-7-19/h1,3,5,8-9,11,13,15H,2,4,6-7,10H2,(H,23,25)/t13-,15?/m1/s1
InChIKeyABGIYIBRNHJITJ-AFYYWNPRSA-N
MW418.91 g/mol
LogP2.64
Rot. Bonds5

About (1R)-3-(2-chloro-4-pyrazol-1-ylphenyl)sulfonyl-N-(1-cyanocyclopropyl)cyclopentane-1-carboxamide

(1R)-3-(2-chloro-4-pyrazol-1-ylphenyl)sulfonyl-N-(1-cyanocyclopropyl)cyclopentane-1-carboxamide (PubChem CID 90125781) has the molecular formula C19H19ClN4O3S and a molecular weight of 418.91 g/mol. Its IUPAC name is (1R)-3-(2-chloro-4-pyrazol-1-ylphenyl)sulfonyl-N-(1-cyanocyclopropyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name(1R)-3-(2-chloro-4-pyrazol-1-ylphenyl)sulfonyl-N-(1-cyanocyclopropyl)cyclopentane-1-carboxamide
PubChem CID90125781
Molecular FormulaC19H19ClN4O3S
Molecular Weight418.91 g/mol
Exact Mass418.09
IUPAC Name(1R)-3-(2-chloro-4-pyrazol-1-ylphenyl)sulfonyl-N-(1-cyanocyclopropyl)cyclopentane-1-carboxamide
SMILESN#CC1(NC(=O)[C@@H]2CCC(S(=O)(=O)c3ccc(-n4cccn4)cc3Cl)C2)CC1
InChIInChI=1S/C19H19ClN4O3S/c20-16-11-14(24-9-1-8-22-24)3-5-17(16)28(26,27)15-4-2-13(10-15)18(25)23-19(12-21)6-7-19/h1,3,5,8-9,11,13,15H,2,4,6-7,10H2,(H,23,25)/t13-,15?/m1/s1
InChIKeyABGIYIBRNHJITJ-AFYYWNPRSA-N
XLogP2.64
TPSA104.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.91
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

cis-(1S,3R)-3-(2-chloro-4-pyrazol-1-ylphenyl)sulfonyl-N-(1-cyanocyclopropyl)cyclopentane-1-carboxamide
CID 59619443
trans-(1S,3S)-3-(2-chloro-4-pyrazol-1-ylphenyl)sulfonyl-N-(1-cyanocyclopropyl)cyclopentane-1-carboxamide
CID 59619222
(2S,4R)-1-[1-(4-chlorophenyl)cyclopropanecarbonyl]-4-(2-chloro-4-pyrazol-1-ylphenyl)sulfonyl-N-(1-cyanocyclopropyl)pyrrolidine-2-carboxamide
CID 59543762
trans-(1S,3S)-3-(2-chloro-4-fluorophenyl)sulfonyl-N-(1-cyanocyclopropyl)cyclopentane-1-carboxamide
CID 59619433
(1R,2R,4R)-4-[2-chloro-4-(4-methylpyrazol-1-yl)phenyl]sulfonyl-N-(1-cyanocyclopropyl)-2-methoxycyclopentane-1-carboxamide
CID 66918600
4-(2-chlorophenyl)sulfonyl-N-(1-cyanocyclopropyl)-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide
CID 91423276
(2S,4R)-4-(2-chloro-4-piperazin-1-ylphenyl)sulfonyl-N-(1-cyanocyclopropyl)-1-[1-(trifluoromethyl)cyclopropanecarbonyl]pyrrolidine-2-carboxamide
CID 59543563
tert-butyl (2S,4R)-4-(2-chloro-4-piperidin-1-ylphenyl)sulfonyl-2-[(1-cyanocyclopropyl)carbamoyl]pyrrolidine-1-carboxylate
CID 59543713
lithium (2S,4R)-4-(2-chloro-4-pyrazol-1-ylphenyl)sulfonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylate
CID 67277833
(2S,4R)-N-(1-cyanocyclopropyl)-4-(2,4-dichlorophenyl)sulfonyl-1-[3-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxamide;methane
CID 159506957
(2S,4R)-4-[2-chloro-4-(4,4-difluoropiperidin-1-yl)phenyl]sulfonyl-N-(1-cyanocyclopropyl)-1-[1-(trifluoromethyl)cyclopropanecarbonyl]pyrrolidine-2-carboxamide
CID 59543840
(2S,4R)-4-[2-chloro-4-(3,3-difluoroazetidin-1-yl)phenyl]sulfonyl-N-(1-cyanocyclopropyl)-1-(2-cyclobutyl-5-methylpyrazol-3-yl)pyrrolidine-2-carboxamide
CID 59543510

Frequently Asked Questions

What is the IUPAC name of (1R)-3-(2-chloro-4-pyrazol-1-ylphenyl)sulfonyl-N-(1-cyanocyclopropyl)cyclopentane-1-carboxamide?
The IUPAC name of (1R)-3-(2-chloro-4-pyrazol-1-ylphenyl)sulfonyl-N-(1-cyanocyclopropyl)cyclopentane-1-carboxamide (CID 90125781) is (1R)-3-(2-chloro-4-pyrazol-1-ylphenyl)sulfonyl-N-(1-cyanocyclopropyl)cyclopentane-1-carboxamide.
What is the SMILES notation for (1R)-3-(2-chloro-4-pyrazol-1-ylphenyl)sulfonyl-N-(1-cyanocyclopropyl)cyclopentane-1-carboxamide?
The canonical SMILES for (1R)-3-(2-chloro-4-pyrazol-1-ylphenyl)sulfonyl-N-(1-cyanocyclopropyl)cyclopentane-1-carboxamide is N#CC1(NC(=O)[C@@H]2CCC(S(=O)(=O)c3ccc(-n4cccn4)cc3Cl)C2)CC1.
What is the InChIKey of (1R)-3-(2-chloro-4-pyrazol-1-ylphenyl)sulfonyl-N-(1-cyanocyclopropyl)cyclopentane-1-carboxamide?
The InChIKey is ABGIYIBRNHJITJ-AFYYWNPRSA-N. The full InChI is InChI=1S/C19H19ClN4O3S/c20-16-11-14(24-9-1-8-22-24)3-5-17(16)28(26,27)15-4-2-13(10-15)18(25)23-19(12-21)6-7-19/h1,3,5,8-9,11,13,15H,2,4,6-7,10H2,(H,23,25)/t13-,15?/m1/s1.
What are the key properties of (1R)-3-(2-chloro-4-pyrazol-1-ylphenyl)sulfonyl-N-(1-cyanocyclopropyl)cyclopentane-1-carboxamide?
(1R)-3-(2-chloro-4-pyrazol-1-ylphenyl)sulfonyl-N-(1-cyanocyclopropyl)cyclopentane-1-carboxamide has a molecular weight of 418.91 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3-(2-chloro-4-pyrazol-1-ylphenyl)sulfonyl-N-(1-cyanocyclopropyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 90125781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).