(2S)-1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpyrrolidine-2-carboxamide

C10H15ClN4O3S — CID 92952190

IUPAC(2S)-1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpyrrolidine-2-carboxamide
SMILESCc1nn(C)c(Cl)c1S(=O)(=O)N1CCC[C@H]1C(N)=O
InChIInChI=1S/C10H15ClN4O3S/c1-6-8(9(11)14(2)13-6)19(17,18)15-5-3-4-7(15)10(12)16/h7H,3-5H2,1-2H3,(H2,12,16)/t7-/m0/s1
InChIKeyUEFGNPGBLIZISI-ZETCQYMHSA-N
MW306.78 g/mol
LogP0.02
Rot. Bonds3

About (2S)-1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpyrrolidine-2-carboxamide

(2S)-1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpyrrolidine-2-carboxamide (PubChem CID 92952190) has the molecular formula C10H15ClN4O3S and a molecular weight of 306.78 g/mol. Its IUPAC name is (2S)-1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpyrrolidine-2-carboxamide
PubChem CID92952190
Molecular FormulaC10H15ClN4O3S
Molecular Weight306.78 g/mol
Exact Mass306.06
IUPAC Name(2S)-1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpyrrolidine-2-carboxamide
SMILESCc1nn(C)c(Cl)c1S(=O)(=O)N1CCC[C@H]1C(N)=O
InChIInChI=1S/C10H15ClN4O3S/c1-6-8(9(11)14(2)13-6)19(17,18)15-5-3-4-7(15)10(12)16/h7H,3-5H2,1-2H3,(H2,12,16)/t7-/m0/s1
InChIKeyUEFGNPGBLIZISI-ZETCQYMHSA-N
XLogP0.02
TPSA98.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.78
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperidine-2-carboxylate
CID 4990872
ethyl 2-[1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]acetate
CID 70752628
1-(5-chloro-1-methylimidazol-4-yl)sulfonylpyrrolidine-2-carboxamide
CID 43415310
4-(2-benzylpyrrolidin-1-yl)sulfonyl-5-chloro-1,3-dimethylpyrazole
CID 166186757
(2R)-1-(5-chloro-1-methylimidazol-4-yl)sulfonylpiperidine-2-carboxamide
CID 35329889
5-chloro-4-[2-(imidazol-1-ylmethyl)pyrrolidin-1-yl]sulfonyl-1,3-dimethylpyrazole
CID 75373833
4-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylthiomorpholine
CID 3868687
1-[(3R)-1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]pyrrolidin-2-one
CID 95563509
(1S,2S,6R,7R)-4-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-4-azatricyclo[5.2.1.02,6]decane
CID 56902731
1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-2-amine
CID 62061770
1-(4-methoxy-2,3,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 4985773
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidine-3-carboxamide
CID 54920320

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpyrrolidine-2-carboxamide (CID 92952190) is (2S)-1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpyrrolidine-2-carboxamide is Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCC[C@H]1C(N)=O.
What is the InChIKey of (2S)-1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpyrrolidine-2-carboxamide?
The InChIKey is UEFGNPGBLIZISI-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H15ClN4O3S/c1-6-8(9(11)14(2)13-6)19(17,18)15-5-3-4-7(15)10(12)16/h7H,3-5H2,1-2H3,(H2,12,16)/t7-/m0/s1.
What are the key properties of (2S)-1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpyrrolidine-2-carboxamide?
(2S)-1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpyrrolidine-2-carboxamide has a molecular weight of 306.78 g/mol, XLogP of 0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 92952190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).