N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-1-ethylsulfonylpiperidine-4-carboxamide

C22H30N4O3S — CID 78830494

IUPACN-(3-cyclopentyl-1-phenylpyrazol-5-yl)-1-ethylsulfonylpiperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)Nc2cc(C3CCCC3)nn2-c2ccccc2)CC1
InChIInChI=1S/C22H30N4O3S/c1-2-30(28,29)25-14-12-18(13-15-25)22(27)23-21-16-20(17-8-6-7-9-17)24-26(21)19-10-4-3-5-11-19/h3-5,10-11,16-18H,2,6-9,12-15H2,1H3,(H,23,27)
InChIKeyRNAXWABKJLWAON-UHFFFAOYSA-N
MW430.57 g/mol
LogP3.53
Rot. Bonds6

About N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-1-ethylsulfonylpiperidine-4-carboxamide

N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-1-ethylsulfonylpiperidine-4-carboxamide (PubChem CID 78830494) has the molecular formula C22H30N4O3S and a molecular weight of 430.57 g/mol. Its IUPAC name is N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-1-ethylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-cyclopentyl-1-phenylpyrazol-5-yl)-1-ethylsulfonylpiperidine-4-carboxamide
PubChem CID78830494
Molecular FormulaC22H30N4O3S
Molecular Weight430.57 g/mol
Exact Mass430.20
IUPAC NameN-(3-cyclopentyl-1-phenylpyrazol-5-yl)-1-ethylsulfonylpiperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)Nc2cc(C3CCCC3)nn2-c2ccccc2)CC1
InChIInChI=1S/C22H30N4O3S/c1-2-30(28,29)25-14-12-18(13-15-25)22(27)23-21-16-20(17-8-6-7-9-17)24-26(21)19-10-4-3-5-11-19/h3-5,10-11,16-18H,2,6-9,12-15H2,1H3,(H,23,27)
InChIKeyRNAXWABKJLWAON-UHFFFAOYSA-N
XLogP3.53
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.57
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 78837937
2-amino-N-(3-cyclopentyl-1-phenylpyrazol-5-yl)acetamide;hydrochloride
CID 119268734
2-(4-aminophenyl)-N-(3-cyclopentyl-1-phenylpyrazol-5-yl)acetamide
CID 119684822
4-acetamido-N-(3-cyclopentyl-1-phenylpyrazol-5-yl)benzamide
CID 78830462
N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-3-propan-2-yloxypropanamide
CID 112819311
2-chloro-N-(3-cyclopropyl-1-phenylpyrazol-5-yl)acetamide
CID 2778369
4-amino-N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-3-methoxybutanamide
CID 120586999
N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]acetamide
CID 36672610
phenyl N-(3-cyclobutyl-1-phenylpyrazol-5-yl)carbamate
CID 66876742
3-acetamido-N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-3-phenylpropanamide
CID 78830466
N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-(6,8-dioxo-5,7-diazaspiro[3.4]octan-7-yl)acetamide
CID 56520964
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-cyclopentyl-1-phenylpyrazol-5-yl)acetamide;hydrochloride
CID 119684833

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-1-ethylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-1-ethylsulfonylpiperidine-4-carboxamide (CID 78830494) is N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-1-ethylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-1-ethylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-1-ethylsulfonylpiperidine-4-carboxamide is CCS(=O)(=O)N1CCC(C(=O)Nc2cc(C3CCCC3)nn2-c2ccccc2)CC1.
What is the InChIKey of N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-1-ethylsulfonylpiperidine-4-carboxamide?
The InChIKey is RNAXWABKJLWAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3S/c1-2-30(28,29)25-14-12-18(13-15-25)22(27)23-21-16-20(17-8-6-7-9-17)24-26(21)19-10-4-3-5-11-19/h3-5,10-11,16-18H,2,6-9,12-15H2,1H3,(H,23,27).
What are the key properties of N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-1-ethylsulfonylpiperidine-4-carboxamide?
N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-1-ethylsulfonylpiperidine-4-carboxamide has a molecular weight of 430.57 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-1-ethylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 78830494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).