1-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carbonyl]pyrrolidine-2-carboxylic acid

C16H24N4O5S — CID 119355764

IUPAC1-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carbonyl]pyrrolidine-2-carboxylic acid
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCCC(C(=O)N2CCCC2C(=O)O)C1
InChIInChI=1S/C16H24N4O5S/c1-10-14(11(2)18-17-10)26(24,25)19-7-3-5-12(9-19)15(21)20-8-4-6-13(20)16(22)23/h12-13H,3-9H2,1-2H3,(H,17,18)(H,22,23)
InChIKeyRTFWQRDLBQBCLM-UHFFFAOYSA-N
MW384.46 g/mol
LogP0.50
Rot. Bonds4

About 1-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carbonyl]pyrrolidine-2-carboxylic acid

1-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carbonyl]pyrrolidine-2-carboxylic acid (PubChem CID 119355764) has the molecular formula C16H24N4O5S and a molecular weight of 384.46 g/mol. Its IUPAC name is 1-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carbonyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carbonyl]pyrrolidine-2-carboxylic acid
PubChem CID119355764
Molecular FormulaC16H24N4O5S
Molecular Weight384.46 g/mol
Exact Mass384.15
IUPAC Name1-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carbonyl]pyrrolidine-2-carboxylic acid
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCCC(C(=O)N2CCCC2C(=O)O)C1
InChIInChI=1S/C16H24N4O5S/c1-10-14(11(2)18-17-10)26(24,25)19-7-3-5-12(9-19)15(21)20-8-4-6-13(20)16(22)23/h12-13H,3-9H2,1-2H3,(H,17,18)(H,22,23)
InChIKeyRTFWQRDLBQBCLM-UHFFFAOYSA-N
XLogP0.50
TPSA123.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carbonyl]pyrrolidine-2-carboxylic acid with MolForge

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Related Compounds

1-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-yl]ethanone
CID 63845404
methyl (3S)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxylate
CID 115536279
[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride
CID 119403670
1-(1-methylsulfonylpiperidine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 43355611
N-cyclopentyl-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide
CID 110335763
[4-(1-aminoethyl)piperidin-1-yl]-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-yl]methanone;hydrochloride
CID 119520705
N-benzyl-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide
CID 110335778
4-[[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carbonyl]amino]butanoic acid
CID 119352502
N-benzyl-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-methylpiperidine-3-carboxamide
CID 110335782
(2R)-1-[(3S)-1-(3-methylsulfonylazetidin-1-yl)sulfonylpiperidine-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 138466850
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-prop-2-enylpiperidine-3-carboxamide
CID 110335758
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(4-fluorophenyl)piperidine-3-carboxamide
CID 110335805

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carbonyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carbonyl]pyrrolidine-2-carboxylic acid (CID 119355764) is 1-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carbonyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carbonyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carbonyl]pyrrolidine-2-carboxylic acid is Cc1n[nH]c(C)c1S(=O)(=O)N1CCCC(C(=O)N2CCCC2C(=O)O)C1.
What is the InChIKey of 1-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carbonyl]pyrrolidine-2-carboxylic acid?
The InChIKey is RTFWQRDLBQBCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O5S/c1-10-14(11(2)18-17-10)26(24,25)19-7-3-5-12(9-19)15(21)20-8-4-6-13(20)16(22)23/h12-13H,3-9H2,1-2H3,(H,17,18)(H,22,23).
What are the key properties of 1-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carbonyl]pyrrolidine-2-carboxylic acid?
1-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carbonyl]pyrrolidine-2-carboxylic acid has a molecular weight of 384.46 g/mol, XLogP of 0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carbonyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 119355764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).