1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(2-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide

C21H29N5O3S — CID 42960133

IUPAC1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(2-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCCC(C(=O)Nc2ccccc2N2CCCC2)C1
InChIInChI=1S/C21H29N5O3S/c1-15-20(16(2)24-23-15)30(28,29)26-13-7-8-17(14-26)21(27)22-18-9-3-4-10-19(18)25-11-5-6-12-25/h3-4,9-10,17H,5-8,11-14H2,1-2H3,(H,22,27)(H,23,24)
InChIKeyGDANRVNTIQPSEU-UHFFFAOYSA-N
MW431.56 g/mol
LogP2.67
Rot. Bonds5

About 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(2-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide

1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(2-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide (PubChem CID 42960133) has the molecular formula C21H29N5O3S and a molecular weight of 431.56 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(2-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(2-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide
PubChem CID42960133
Molecular FormulaC21H29N5O3S
Molecular Weight431.56 g/mol
Exact Mass431.20
IUPAC Name1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(2-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCCC(C(=O)Nc2ccccc2N2CCCC2)C1
InChIInChI=1S/C21H29N5O3S/c1-15-20(16(2)24-23-15)30(28,29)26-13-7-8-17(14-26)21(27)22-18-9-3-4-10-19(18)25-11-5-6-12-25/h3-4,9-10,17H,5-8,11-14H2,1-2H3,(H,22,27)(H,23,24)
InChIKeyGDANRVNTIQPSEU-UHFFFAOYSA-N
XLogP2.67
TPSA98.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.56
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-dimethylphenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-4-carboxamide
CID 3240778
N-(4-chlorophenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide
CID 15990918
N-(4-bromophenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide
CID 15990920
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(4-fluorobenzyl)piperidine-3-carboxamide
CID 16194404
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(2,4-dimethylphenyl)piperidine-3-carboxamide
CID 15990922
N-(2,4-dimethylphenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-4-carboxamide
CID 20851631
N-(3-methylphenyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 20855619
1-({1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-yl}carbonyl)indoline
CID 3236961
1-(4-chlorophenyl)-4-({1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-yl}carbonyl)piperazine
CID 3240404
(4-Phenylpiperazin-1-yl)-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]methanone
CID 5308663
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 9550283
3-[3,5-Dimethyl-4-(pyrrolidine-1-sulfonyl)-1H-pyrazol-1-YL]-1-(4-phenylpiperazin-1-YL)propan-1-one
CID 16028051

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(2-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(2-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide (CID 42960133) is 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(2-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(2-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(2-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide is Cc1n[nH]c(C)c1S(=O)(=O)N1CCCC(C(=O)Nc2ccccc2N2CCCC2)C1.
What is the InChIKey of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(2-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide?
The InChIKey is GDANRVNTIQPSEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O3S/c1-15-20(16(2)24-23-15)30(28,29)26-13-7-8-17(14-26)21(27)22-18-9-3-4-10-19(18)25-11-5-6-12-25/h3-4,9-10,17H,5-8,11-14H2,1-2H3,(H,22,27)(H,23,24).
What are the key properties of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(2-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide?
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(2-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide has a molecular weight of 431.56 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(2-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 42960133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).