N-[(1S,2S)-2-carbamoylcyclohexyl]-3-pyrazol-1-ylbenzamide

C17H20N4O2 — CID 96528372

IUPACN-[(1S,2S)-2-carbamoylcyclohexyl]-3-pyrazol-1-ylbenzamide
SMILESNC(=O)[C@H]1CCCC[C@@H]1NC(=O)c1cccc(-n2cccn2)c1
InChIInChI=1S/C17H20N4O2/c18-16(22)14-7-1-2-8-15(14)20-17(23)12-5-3-6-13(11-12)21-10-4-9-19-21/h3-6,9-11,14-15H,1-2,7-8H2,(H2,18,22)(H,20,23)/t14-,15-/m0/s1
InChIKeySYKPANNTWKLOHV-GJZGRUSLSA-N
MW312.37 g/mol
LogP1.65
Rot. Bonds4

About N-[(1S,2S)-2-carbamoylcyclohexyl]-3-pyrazol-1-ylbenzamide

N-[(1S,2S)-2-carbamoylcyclohexyl]-3-pyrazol-1-ylbenzamide (PubChem CID 96528372) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[(1S,2S)-2-carbamoylcyclohexyl]-3-pyrazol-1-ylbenzamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-carbamoylcyclohexyl]-3-pyrazol-1-ylbenzamide
PubChem CID96528372
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC NameN-[(1S,2S)-2-carbamoylcyclohexyl]-3-pyrazol-1-ylbenzamide
SMILESNC(=O)[C@H]1CCCC[C@@H]1NC(=O)c1cccc(-n2cccn2)c1
InChIInChI=1S/C17H20N4O2/c18-16(22)14-7-1-2-8-15(14)20-17(23)12-5-3-6-13(11-12)21-10-4-9-19-21/h3-6,9-11,14-15H,1-2,7-8H2,(H2,18,22)(H,20,23)/t14-,15-/m0/s1
InChIKeySYKPANNTWKLOHV-GJZGRUSLSA-N
XLogP1.65
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S,3S)-3-aminocyclopentyl]-3-pyrazol-1-ylbenzamide
CID 133112639
N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-pyrazol-1-ylbenzamide
CID 155912648
N-[(1S,2R)-2-(2,3-dihydro-1H-inden-2-ylamino)cyclobutyl]-3-pyrazol-1-ylbenzamide
CID 56915580
2-[(3-carbamoylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 64814585
N-[2-(aminomethyl)cyclohexyl]-4-pyrazol-1-ylpyridine-2-carboxamide
CID 119609496
N-[(1R,2R)-2-carbamoylcyclopentyl]-2-fluoropyridine-4-carboxamide
CID 97084906
N-[(1R,2S)-2-methylcyclohexyl]-3-(tetrazol-1-yl)benzamide
CID 28935459
1-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]-3-(3-pyrazol-1-ylphenyl)urea
CID 96525270
1-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-3-(3-pyrazol-1-ylphenyl)urea
CID 96525273
N-[2-(aminomethyl)cyclohexyl]-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide;hydrochloride
CID 119612152
N-(2-carbamoylcyclohexyl)-4-(2-oxo-1,3-diazinan-1-yl)benzamide
CID 18453156
N-[(1S,2R)-2-(azepan-1-ylmethyl)cyclohexyl]-4-pyrazol-1-ylbenzamide
CID 59007588

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-carbamoylcyclohexyl]-3-pyrazol-1-ylbenzamide?
The IUPAC name of N-[(1S,2S)-2-carbamoylcyclohexyl]-3-pyrazol-1-ylbenzamide (CID 96528372) is N-[(1S,2S)-2-carbamoylcyclohexyl]-3-pyrazol-1-ylbenzamide.
What is the SMILES notation for N-[(1S,2S)-2-carbamoylcyclohexyl]-3-pyrazol-1-ylbenzamide?
The canonical SMILES for N-[(1S,2S)-2-carbamoylcyclohexyl]-3-pyrazol-1-ylbenzamide is NC(=O)[C@H]1CCCC[C@@H]1NC(=O)c1cccc(-n2cccn2)c1.
What is the InChIKey of N-[(1S,2S)-2-carbamoylcyclohexyl]-3-pyrazol-1-ylbenzamide?
The InChIKey is SYKPANNTWKLOHV-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H20N4O2/c18-16(22)14-7-1-2-8-15(14)20-17(23)12-5-3-6-13(11-12)21-10-4-9-19-21/h3-6,9-11,14-15H,1-2,7-8H2,(H2,18,22)(H,20,23)/t14-,15-/m0/s1.
What are the key properties of N-[(1S,2S)-2-carbamoylcyclohexyl]-3-pyrazol-1-ylbenzamide?
N-[(1S,2S)-2-carbamoylcyclohexyl]-3-pyrazol-1-ylbenzamide has a molecular weight of 312.37 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-carbamoylcyclohexyl]-3-pyrazol-1-ylbenzamide is sourced from PubChem (CID 96528372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).