5-[2-(methylcarbamoyl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole-4-carboxylic acid

C10H14N4O5S — CID 60950937

IUPAC5-[2-(methylcarbamoyl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole-4-carboxylic acid
SMILESCNC(=O)C1CCCN1S(=O)(=O)c1[nH]ncc1C(=O)O
InChIInChI=1S/C10H14N4O5S/c1-11-8(15)7-3-2-4-14(7)20(18,19)9-6(10(16)17)5-12-13-9/h5,7H,2-4H2,1H3,(H,11,15)(H,12,13)(H,16,17)
InChIKeyZZDDOSJNQHOXHY-UHFFFAOYSA-N
MW302.31 g/mol
LogP-0.99
Rot. Bonds4

About 5-[2-(methylcarbamoyl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole-4-carboxylic acid

5-[2-(methylcarbamoyl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole-4-carboxylic acid (PubChem CID 60950937) has the molecular formula C10H14N4O5S and a molecular weight of 302.31 g/mol. Its IUPAC name is 5-[2-(methylcarbamoyl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[2-(methylcarbamoyl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole-4-carboxylic acid
PubChem CID60950937
Molecular FormulaC10H14N4O5S
Molecular Weight302.31 g/mol
Exact Mass302.07
IUPAC Name5-[2-(methylcarbamoyl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole-4-carboxylic acid
SMILESCNC(=O)C1CCCN1S(=O)(=O)c1[nH]ncc1C(=O)O
InChIInChI=1S/C10H14N4O5S/c1-11-8(15)7-3-2-4-14(7)20(18,19)9-6(10(16)17)5-12-13-9/h5,7H,2-4H2,1H3,(H,11,15)(H,12,13)(H,16,17)
InChIKeyZZDDOSJNQHOXHY-UHFFFAOYSA-N
XLogP-0.99
TPSA132.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 5-0.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-(3-hydroxypropyl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole-4-carboxylic acid
CID 62469033
5-[2-(methylcarbamoyl)pyrrolidin-1-yl]sulfonylthiophene-2-carboxylic acid
CID 61028177
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-methylpyrrolidine-2-carboxamide
CID 60960077
5-(3-acetamidopiperidin-1-yl)sulfonyl-1H-pyrazole-4-carboxylic acid
CID 60951312
5-[(3R)-3-methylmorpholin-4-yl]sulfonyl-1H-pyrazole-4-carboxylic acid
CID 93350476
5-(4-aminopiperidin-1-yl)sulfonyl-1H-pyrazole-4-carboxylic acid
CID 61402961
5-[4-(hydroxymethyl)piperidin-1-yl]sulfonyl-1H-pyrazole-4-carboxylic acid
CID 54934357
(2S,3S)-1-[(4-ethoxycarbonyl-1H-pyrazol-5-yl)sulfonyl]-2-methylpiperidine-3-carboxylic acid
CID 122105369
1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-N-methylpyrrolidine-2-carboxamide
CID 54979772
1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-N-methylpiperidine-2-carboxamide
CID 61046496
N-methyl-1-(1-phenylpyrazol-4-yl)sulfonylpiperidine-2-carboxamide
CID 51094154
5-(8-azaspiro[4.5]decan-8-ylsulfonyl)-1H-pyrazole-4-carboxylic acid
CID 63158855

Frequently Asked Questions

What is the IUPAC name of 5-[2-(methylcarbamoyl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 5-[2-(methylcarbamoyl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole-4-carboxylic acid (CID 60950937) is 5-[2-(methylcarbamoyl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-[2-(methylcarbamoyl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 5-[2-(methylcarbamoyl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole-4-carboxylic acid is CNC(=O)C1CCCN1S(=O)(=O)c1[nH]ncc1C(=O)O.
What is the InChIKey of 5-[2-(methylcarbamoyl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole-4-carboxylic acid?
The InChIKey is ZZDDOSJNQHOXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O5S/c1-11-8(15)7-3-2-4-14(7)20(18,19)9-6(10(16)17)5-12-13-9/h5,7H,2-4H2,1H3,(H,11,15)(H,12,13)(H,16,17).
What are the key properties of 5-[2-(methylcarbamoyl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole-4-carboxylic acid?
5-[2-(methylcarbamoyl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole-4-carboxylic acid has a molecular weight of 302.31 g/mol, XLogP of -0.99, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(methylcarbamoyl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 60950937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).