1-(benzenesulfonyl)-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]piperidine-3-carboxamide

C20H26N4O3S — CID 112822014

IUPAC1-(benzenesulfonyl)-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]piperidine-3-carboxamide
SMILESCC(C1CC1)n1nccc1NC(=O)C1CCCN(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C20H26N4O3S/c1-15(16-9-10-16)24-19(11-12-21-24)22-20(25)17-6-5-13-23(14-17)28(26,27)18-7-3-2-4-8-18/h2-4,7-8,11-12,15-17H,5-6,9-10,13-14H2,1H3,(H,22,25)
InChIKeyLBNMFJCXJHEOKP-UHFFFAOYSA-N
MW402.52 g/mol
LogP2.89
Rot. Bonds6

About 1-(benzenesulfonyl)-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]piperidine-3-carboxamide

1-(benzenesulfonyl)-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]piperidine-3-carboxamide (PubChem CID 112822014) has the molecular formula C20H26N4O3S and a molecular weight of 402.52 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]piperidine-3-carboxamide
PubChem CID112822014
Molecular FormulaC20H26N4O3S
Molecular Weight402.52 g/mol
Exact Mass402.17
IUPAC Name1-(benzenesulfonyl)-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]piperidine-3-carboxamide
SMILESCC(C1CC1)n1nccc1NC(=O)C1CCCN(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C20H26N4O3S/c1-15(16-9-10-16)24-19(11-12-21-24)22-20(25)17-6-5-13-23(14-17)28(26,27)18-7-3-2-4-8-18/h2-4,7-8,11-12,15-17H,5-6,9-10,13-14H2,1H3,(H,22,25)
InChIKeyLBNMFJCXJHEOKP-UHFFFAOYSA-N
XLogP2.89
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(benzenesulfonyl)-N-propan-2-ylpiperidine-3-carboxamide
CID 51179844
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-3-piperidin-1-ylsulfonylbenzamide
CID 4794345
1-(benzenesulfonyl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
CID 2981997
(3S)-1-(benzenesulfonyl)-N-(2-propan-2-yloxyphenyl)piperidine-3-carboxamide
CID 39499198
N-(2-benzylpyrazol-3-yl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 55414402
(3R)-1-(benzenesulfonyl)-N-[(1S)-1-phenylethyl]piperidine-3-carboxamide
CID 39878026
(3S)-N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(benzenesulfonyl)piperidine-3-carboxamide
CID 100659269
1-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 16828987
1-(benzenesulfonyl)-N-(2-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide
CID 46430810
(3R)-1-(benzenesulfonyl)-N-[(2S)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]piperidine-3-carboxamide
CID 41009604
1-(benzenesulfonyl)-N-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 133167934
1-(benzenesulfonyl)-N-(2-ethylphenyl)piperidine-3-carboxamide
CID 45153730

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]piperidine-3-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]piperidine-3-carboxamide (CID 112822014) is 1-(benzenesulfonyl)-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]piperidine-3-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]piperidine-3-carboxamide is CC(C1CC1)n1nccc1NC(=O)C1CCCN(S(=O)(=O)c2ccccc2)C1.
What is the InChIKey of 1-(benzenesulfonyl)-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]piperidine-3-carboxamide?
The InChIKey is LBNMFJCXJHEOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3S/c1-15(16-9-10-16)24-19(11-12-21-24)22-20(25)17-6-5-13-23(14-17)28(26,27)18-7-3-2-4-8-18/h2-4,7-8,11-12,15-17H,5-6,9-10,13-14H2,1H3,(H,22,25).
What are the key properties of 1-(benzenesulfonyl)-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]piperidine-3-carboxamide?
1-(benzenesulfonyl)-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]piperidine-3-carboxamide has a molecular weight of 402.52 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]piperidine-3-carboxamide is sourced from PubChem (CID 112822014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).