(1,5-dimethylpyrazol-3-yl)-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]methanone

C16H26N4O3S — CID 91910310

IUPAC(1,5-dimethylpyrazol-3-yl)-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCC(C3CCN(S(C)(=O)=O)CC3)C2)nn1C
InChIInChI=1S/C16H26N4O3S/c1-12-10-15(17-18(12)2)16(21)19-7-4-14(11-19)13-5-8-20(9-6-13)24(3,22)23/h10,13-14H,4-9,11H2,1-3H3
InChIKeyNNCWCZRTUFENRI-UHFFFAOYSA-N
MW354.48 g/mol
LogP0.86
Rot. Bonds3

About (1,5-dimethylpyrazol-3-yl)-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]methanone

(1,5-dimethylpyrazol-3-yl)-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]methanone (PubChem CID 91910310) has the molecular formula C16H26N4O3S and a molecular weight of 354.48 g/mol. Its IUPAC name is (1,5-dimethylpyrazol-3-yl)-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(1,5-dimethylpyrazol-3-yl)-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]methanone
PubChem CID91910310
Molecular FormulaC16H26N4O3S
Molecular Weight354.48 g/mol
Exact Mass354.17
IUPAC Name(1,5-dimethylpyrazol-3-yl)-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCC(C3CCN(S(C)(=O)=O)CC3)C2)nn1C
InChIInChI=1S/C16H26N4O3S/c1-12-10-15(17-18(12)2)16(21)19-7-4-14(11-19)13-5-8-20(9-6-13)24(3,22)23/h10,13-14H,4-9,11H2,1-3H3
InChIKeyNNCWCZRTUFENRI-UHFFFAOYSA-N
XLogP0.86
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (1,5-dimethylpyrazol-3-yl)-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]methanone with MolForge

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Related Compounds

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1-(1-tert-butyl-5-methylpyrazole-3-carbonyl)-3-methyl-N-propylsulfonylpiperidine-3-carboxamide
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1,5-dimethyl-N-[2-(3-methylpiperidin-1-yl)ethyl]pyrazole-3-carboxamide
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[(4S,4aS,7aS)-6-ethyl-4-methoxy-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone
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1-(2-tert-butyl-5-methylpyrazole-3-carbonyl)-3-methyl-N-propylsulfonylpyrrolidine-3-carboxamide
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1-[(1-ethyl-3-isobutyl-1H-pyrazol-5-yl)carbonyl]-4-(ethylsulfonyl)piperazine
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(1-Methyl-5-propan-2-ylpyrazol-3-yl)-pyrrolidin-1-ylmethanone
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2-{5-methyl-3-[(4-methyl-1-piperazinyl)carbonyl]-1-pyrazolyl}-1-[(S)-3-methyl-1-piperidyl]-1-ethanone
CID 42285731
1-(2-tert-butyl-5-methylpyrazole-3-carbonyl)-3-methyl-N-propylsulfonylpiperidine-3-carboxamide
CID 46942709
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Frequently Asked Questions

What is the IUPAC name of (1,5-dimethylpyrazol-3-yl)-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (1,5-dimethylpyrazol-3-yl)-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]methanone (CID 91910310) is (1,5-dimethylpyrazol-3-yl)-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (1,5-dimethylpyrazol-3-yl)-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (1,5-dimethylpyrazol-3-yl)-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]methanone is Cc1cc(C(=O)N2CCC(C3CCN(S(C)(=O)=O)CC3)C2)nn1C.
What is the InChIKey of (1,5-dimethylpyrazol-3-yl)-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]methanone?
The InChIKey is NNCWCZRTUFENRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3S/c1-12-10-15(17-18(12)2)16(21)19-7-4-14(11-19)13-5-8-20(9-6-13)24(3,22)23/h10,13-14H,4-9,11H2,1-3H3.
What are the key properties of (1,5-dimethylpyrazol-3-yl)-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]methanone?
(1,5-dimethylpyrazol-3-yl)-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]methanone has a molecular weight of 354.48 g/mol, XLogP of 0.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1,5-dimethylpyrazol-3-yl)-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 91910310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).