1-(benzenesulfonyl)-N-[1-ethyl-3-(2-methylpropylcarbamoyl)pyrazol-4-yl]piperidine-4-carboxamide

C22H31N5O4S — CID 19402676

IUPAC1-(benzenesulfonyl)-N-[1-ethyl-3-(2-methylpropylcarbamoyl)pyrazol-4-yl]piperidine-4-carboxamide
SMILESCCn1cc(NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)c(C(=O)NCC(C)C)n1
InChIInChI=1S/C22H31N5O4S/c1-4-26-15-19(20(25-26)22(29)23-14-16(2)3)24-21(28)17-10-12-27(13-11-17)32(30,31)18-8-6-5-7-9-18/h5-9,15-17H,4,10-14H2,1-3H3,(H,23,29)(H,24,28)
InChIKeyCAZKYXJOZGSUNN-UHFFFAOYSA-N
MW461.59 g/mol
LogP2.33
Rot. Bonds8

About 1-(benzenesulfonyl)-N-[1-ethyl-3-(2-methylpropylcarbamoyl)pyrazol-4-yl]piperidine-4-carboxamide

1-(benzenesulfonyl)-N-[1-ethyl-3-(2-methylpropylcarbamoyl)pyrazol-4-yl]piperidine-4-carboxamide (PubChem CID 19402676) has the molecular formula C22H31N5O4S and a molecular weight of 461.59 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-[1-ethyl-3-(2-methylpropylcarbamoyl)pyrazol-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-[1-ethyl-3-(2-methylpropylcarbamoyl)pyrazol-4-yl]piperidine-4-carboxamide
PubChem CID19402676
Molecular FormulaC22H31N5O4S
Molecular Weight461.59 g/mol
Exact Mass461.21
IUPAC Name1-(benzenesulfonyl)-N-[1-ethyl-3-(2-methylpropylcarbamoyl)pyrazol-4-yl]piperidine-4-carboxamide
SMILESCCn1cc(NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)c(C(=O)NCC(C)C)n1
InChIInChI=1S/C22H31N5O4S/c1-4-26-15-19(20(25-26)22(29)23-14-16(2)3)24-21(28)17-10-12-27(13-11-17)32(30,31)18-8-6-5-7-9-18/h5-9,15-17H,4,10-14H2,1-3H3,(H,23,29)(H,24,28)
InChIKeyCAZKYXJOZGSUNN-UHFFFAOYSA-N
XLogP2.33
TPSA113.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.59
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-ethyl-3-(2-methylpropylcarbamoyl)pyrazol-4-yl]-1-(4-nitrophenyl)sulfonylpiperidine-4-carboxamide
CID 19402674
N-[2-(2-methylpropylcarbamoyl)phenyl]-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 34727869
1-(benzenesulfonyl)-N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]piperidine-4-carboxamide
CID 19410656
1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-[1-ethyl-3-(2-methylpropylcarbamoyl)pyrazol-4-yl]piperidine-3-carboxamide
CID 17025141
4-(cyclohexanecarbonylamino)-1-ethyl-N-phenylpyrazole-3-carboxamide
CID 19404792
1-(benzenesulfonyl)-N-[2-(propylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 31288840
1-(benzenesulfonyl)-N-[2-[[(1S)-1-phenylethyl]carbamoyl]phenyl]piperidine-4-carboxamide
CID 26242729
1-(benzenesulfonyl)-N-[2-(butanoylamino)phenyl]piperidine-4-carboxamide
CID 6498124
1-(4-acetamidophenyl)sulfonyl-N-(2-methylpropyl)piperidine-4-carboxamide
CID 113002804
1-(benzenesulfonyl)-N-[2-(dimethylamino)-3-methylbutyl]piperidine-4-carboxamide
CID 24650068
4-(cyclohexanecarbonylamino)-1-ethyl-N-methylpyrazole-3-carboxamide
CID 19410874
(3R)-N-[1-ethyl-3-(furan-2-ylmethylcarbamoyl)pyrazol-4-yl]-1-(1-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 51392165

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-[1-ethyl-3-(2-methylpropylcarbamoyl)pyrazol-4-yl]piperidine-4-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-[1-ethyl-3-(2-methylpropylcarbamoyl)pyrazol-4-yl]piperidine-4-carboxamide (CID 19402676) is 1-(benzenesulfonyl)-N-[1-ethyl-3-(2-methylpropylcarbamoyl)pyrazol-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-[1-ethyl-3-(2-methylpropylcarbamoyl)pyrazol-4-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-[1-ethyl-3-(2-methylpropylcarbamoyl)pyrazol-4-yl]piperidine-4-carboxamide is CCn1cc(NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)c(C(=O)NCC(C)C)n1.
What is the InChIKey of 1-(benzenesulfonyl)-N-[1-ethyl-3-(2-methylpropylcarbamoyl)pyrazol-4-yl]piperidine-4-carboxamide?
The InChIKey is CAZKYXJOZGSUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O4S/c1-4-26-15-19(20(25-26)22(29)23-14-16(2)3)24-21(28)17-10-12-27(13-11-17)32(30,31)18-8-6-5-7-9-18/h5-9,15-17H,4,10-14H2,1-3H3,(H,23,29)(H,24,28).
What are the key properties of 1-(benzenesulfonyl)-N-[1-ethyl-3-(2-methylpropylcarbamoyl)pyrazol-4-yl]piperidine-4-carboxamide?
1-(benzenesulfonyl)-N-[1-ethyl-3-(2-methylpropylcarbamoyl)pyrazol-4-yl]piperidine-4-carboxamide has a molecular weight of 461.59 g/mol, XLogP of 2.33, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-[1-ethyl-3-(2-methylpropylcarbamoyl)pyrazol-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 19402676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).