N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-3-piperidin-1-ylsulfonylbenzamide

C20H26N4O3S — CID 4794345

IUPACN-[2-(1-cyclopropylethyl)pyrazol-3-yl]-3-piperidin-1-ylsulfonylbenzamide
SMILESCC(C1CC1)n1nccc1NC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C20H26N4O3S/c1-15(16-8-9-16)24-19(10-11-21-24)22-20(25)17-6-5-7-18(14-17)28(26,27)23-12-3-2-4-13-23/h5-7,10-11,14-16H,2-4,8-9,12-13H2,1H3,(H,22,25)
InChIKeyWLDSIAYBXKLWBA-UHFFFAOYSA-N
MW402.52 g/mol
LogP3.28
Rot. Bonds6

About N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-3-piperidin-1-ylsulfonylbenzamide

N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 4794345) has the molecular formula C20H26N4O3S and a molecular weight of 402.52 g/mol. Its IUPAC name is N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-(1-cyclopropylethyl)pyrazol-3-yl]-3-piperidin-1-ylsulfonylbenzamide
PubChem CID4794345
Molecular FormulaC20H26N4O3S
Molecular Weight402.52 g/mol
Exact Mass402.17
IUPAC NameN-[2-(1-cyclopropylethyl)pyrazol-3-yl]-3-piperidin-1-ylsulfonylbenzamide
SMILESCC(C1CC1)n1nccc1NC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C20H26N4O3S/c1-15(16-8-9-16)24-19(10-11-21-24)22-20(25)17-6-5-7-18(14-17)28(26,27)23-12-3-2-4-13-23/h5-7,10-11,14-16H,2-4,8-9,12-13H2,1H3,(H,22,25)
InChIKeyWLDSIAYBXKLWBA-UHFFFAOYSA-N
XLogP3.28
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 ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(benzenesulfonyl)-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]piperidine-3-carboxamide
CID 112822014
N-(2-cyclohexylpyrazol-3-yl)-3-morpholin-4-ylsulfonylbenzamide
CID 4849692
[1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 3-pyrrolidin-1-ylsulfonylbenzoate
CID 42900643
3-(azepan-1-ylsulfonyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 24506376
N-(3-acetylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 2711494
3-piperidin-1-ylsulfonyl-N-(4-propan-2-yloxyphenyl)benzamide
CID 66872671
3-piperidin-1-ylsulfonyl-N-pyridin-3-ylbenzamide
CID 812621
3-(azepan-1-ylsulfonyl)-N-(3-methylsulfonylphenyl)benzamide
CID 26722877
N-[(2S)-3-methylbutan-2-yl]-3-piperidin-1-ylsulfonylbenzamide
CID 92527690
N-(4-bromophenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 1250095
3-[(3-piperidin-1-ylsulfonylbenzoyl)amino]benzoic acid
CID 3242230
N-(2-cyclopentylpyrazol-3-yl)-3-methylsulfonylbenzamide
CID 8890675

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-3-piperidin-1-ylsulfonylbenzamide (CID 4794345) is N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-3-piperidin-1-ylsulfonylbenzamide is CC(C1CC1)n1nccc1NC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is WLDSIAYBXKLWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3S/c1-15(16-8-9-16)24-19(10-11-21-24)22-20(25)17-6-5-7-18(14-17)28(26,27)23-12-3-2-4-13-23/h5-7,10-11,14-16H,2-4,8-9,12-13H2,1H3,(H,22,25).
What are the key properties of N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-3-piperidin-1-ylsulfonylbenzamide?
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 402.52 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 4794345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).