(3R,4S)-4-(1,5-dimethylpyrazol-4-yl)-1-(1-methylpyrrol-2-yl)sulfonylpyrrolidine-3-carboxylic acid

C15H20N4O4S — CID 154761919

IUPAC(3R,4S)-4-(1,5-dimethylpyrazol-4-yl)-1-(1-methylpyrrol-2-yl)sulfonylpyrrolidine-3-carboxylic acid
SMILESCc1c([C@H]2CN(S(=O)(=O)c3cccn3C)C[C@@H]2C(=O)O)cnn1C
InChIInChI=1S/C15H20N4O4S/c1-10-11(7-16-18(10)3)12-8-19(9-13(12)15(20)21)24(22,23)14-5-4-6-17(14)2/h4-7,12-13H,8-9H2,1-3H3,(H,20,21)/t12-,13+/m1/s1
InChIKeyBZEQEURNVQRCMB-OLZOCXBDSA-N
MW352.42 g/mol
LogP0.56
Rot. Bonds4

About (3R,4S)-4-(1,5-dimethylpyrazol-4-yl)-1-(1-methylpyrrol-2-yl)sulfonylpyrrolidine-3-carboxylic acid

(3R,4S)-4-(1,5-dimethylpyrazol-4-yl)-1-(1-methylpyrrol-2-yl)sulfonylpyrrolidine-3-carboxylic acid (PubChem CID 154761919) has the molecular formula C15H20N4O4S and a molecular weight of 352.42 g/mol. Its IUPAC name is (3R,4S)-4-(1,5-dimethylpyrazol-4-yl)-1-(1-methylpyrrol-2-yl)sulfonylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R,4S)-4-(1,5-dimethylpyrazol-4-yl)-1-(1-methylpyrrol-2-yl)sulfonylpyrrolidine-3-carboxylic acid
PubChem CID154761919
Molecular FormulaC15H20N4O4S
Molecular Weight352.42 g/mol
Exact Mass352.12
IUPAC Name(3R,4S)-4-(1,5-dimethylpyrazol-4-yl)-1-(1-methylpyrrol-2-yl)sulfonylpyrrolidine-3-carboxylic acid
SMILESCc1c([C@H]2CN(S(=O)(=O)c3cccn3C)C[C@@H]2C(=O)O)cnn1C
InChIInChI=1S/C15H20N4O4S/c1-10-11(7-16-18(10)3)12-8-19(9-13(12)15(20)21)24(22,23)14-5-4-6-17(14)2/h4-7,12-13H,8-9H2,1-3H3,(H,20,21)/t12-,13+/m1/s1
InChIKeyBZEQEURNVQRCMB-OLZOCXBDSA-N
XLogP0.56
TPSA97.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(3R,4S)-4-(1,5-dimethylpyrazol-4-yl)-1-(2-hydroxyethyl)piperidin-3-yl]-phenylmethanone
CID 173119660
1-methylsulfonyl-4-pyridin-3-ylpyrrolidine-3-carboxylic acid
CID 83290659
(3R,4S)-1-[(3-cyclopropylphenyl)methyl]-4-(1,5-dimethylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 154800374
(3R,4S)-4-(1,5-dimethylpyrazol-4-yl)-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrolidine-3-carboxamide
CID 154800186
(2S,3S)-2-(1,5-dimethylpyrazol-4-yl)-1-ethyl-5-oxopyrrolidine-3-carboxylic acid
CID 122155895
(3R,4S)-4-(1,5-dimethylpyrazol-4-yl)-1-[(2-propan-2-yloxyphenyl)methyl]pyrrolidine-3-carboxamide
CID 167987924
trans-(1R,2S)-2-(1,5-dimethylpyrazol-4-yl)cyclopropan-1-amine
CID 91647637
trans-(1S,2R)-2-(1,5-dimethylpyrazol-4-yl)cyclopropan-1-amine
CID 124512028
4-methyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidine-3-carboxylic acid
CID 63721561
(3R,4S)-1-(1,5-dimethylpyrazole-4-carbonyl)-4-(4-fluorophenyl)pyrrolidine-3-carboxylic acid
CID 16675037
2-(1,5-dimethylpyrazol-4-yl)-1-ethyl-6-oxopiperidine-3-carboxylic acid
CID 79584605
2-(1,5-dimethylpyrazol-4-yl)cyclopropan-1-amine;dihydrochloride
CID 122198975

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-(1,5-dimethylpyrazol-4-yl)-1-(1-methylpyrrol-2-yl)sulfonylpyrrolidine-3-carboxylic acid?
The IUPAC name of (3R,4S)-4-(1,5-dimethylpyrazol-4-yl)-1-(1-methylpyrrol-2-yl)sulfonylpyrrolidine-3-carboxylic acid (CID 154761919) is (3R,4S)-4-(1,5-dimethylpyrazol-4-yl)-1-(1-methylpyrrol-2-yl)sulfonylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R,4S)-4-(1,5-dimethylpyrazol-4-yl)-1-(1-methylpyrrol-2-yl)sulfonylpyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R,4S)-4-(1,5-dimethylpyrazol-4-yl)-1-(1-methylpyrrol-2-yl)sulfonylpyrrolidine-3-carboxylic acid is Cc1c([C@H]2CN(S(=O)(=O)c3cccn3C)C[C@@H]2C(=O)O)cnn1C.
What is the InChIKey of (3R,4S)-4-(1,5-dimethylpyrazol-4-yl)-1-(1-methylpyrrol-2-yl)sulfonylpyrrolidine-3-carboxylic acid?
The InChIKey is BZEQEURNVQRCMB-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H20N4O4S/c1-10-11(7-16-18(10)3)12-8-19(9-13(12)15(20)21)24(22,23)14-5-4-6-17(14)2/h4-7,12-13H,8-9H2,1-3H3,(H,20,21)/t12-,13+/m1/s1.
What are the key properties of (3R,4S)-4-(1,5-dimethylpyrazol-4-yl)-1-(1-methylpyrrol-2-yl)sulfonylpyrrolidine-3-carboxylic acid?
(3R,4S)-4-(1,5-dimethylpyrazol-4-yl)-1-(1-methylpyrrol-2-yl)sulfonylpyrrolidine-3-carboxylic acid has a molecular weight of 352.42 g/mol, XLogP of 0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-(1,5-dimethylpyrazol-4-yl)-1-(1-methylpyrrol-2-yl)sulfonylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 154761919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).