N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]cyclohexanecarboxamide

C17H20ClN3O — CID 18193306

IUPACN-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]cyclohexanecarboxamide
SMILESO=C(Nc1ccnn1Cc1ccccc1Cl)C1CCCCC1
InChIInChI=1S/C17H20ClN3O/c18-15-9-5-4-8-14(15)12-21-16(10-11-19-21)20-17(22)13-6-2-1-3-7-13/h4-5,8-11,13H,1-3,6-7,12H2,(H,20,22)
InChIKeyKZZSLEFWPVOCNB-UHFFFAOYSA-N
MW317.82 g/mol
LogP4.10
Rot. Bonds4

About N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]cyclohexanecarboxamide

N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]cyclohexanecarboxamide (PubChem CID 18193306) has the molecular formula C17H20ClN3O and a molecular weight of 317.82 g/mol. Its IUPAC name is N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]cyclohexanecarboxamide
PubChem CID18193306
Molecular FormulaC17H20ClN3O
Molecular Weight317.82 g/mol
Exact Mass317.13
IUPAC NameN-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]cyclohexanecarboxamide
SMILESO=C(Nc1ccnn1Cc1ccccc1Cl)C1CCCCC1
InChIInChI=1S/C17H20ClN3O/c18-15-9-5-4-8-14(15)12-21-16(10-11-19-21)20-17(22)13-6-2-1-3-7-13/h4-5,8-11,13H,1-3,6-7,12H2,(H,20,22)
InChIKeyKZZSLEFWPVOCNB-UHFFFAOYSA-N
XLogP4.10
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]cyclobutanecarboxamide
CID 17406614
N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]cyclobutanecarboxamide
CID 38996984
N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]piperidine-4-carboxamide;hydrochloride
CID 119274816
3-N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 112799172
N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]piperidine-3-carboxamide;hydrochloride
CID 119274820
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-[cyclopentyl(ethyl)amino]acetamide
CID 55741779
N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]oxane-4-carboxamide
CID 51248287
(3S)-N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 125179775
N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]cyclobutanecarboxamide
CID 8911676
3-amino-N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]cyclopentane-1-carboxamide;hydrochloride
CID 119696113
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 43049846
N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-1-(2-methylbenzoyl)piperidine-4-carboxamide
CID 24509873

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]cyclohexanecarboxamide?
The IUPAC name of N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]cyclohexanecarboxamide (CID 18193306) is N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]cyclohexanecarboxamide is O=C(Nc1ccnn1Cc1ccccc1Cl)C1CCCCC1.
What is the InChIKey of N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]cyclohexanecarboxamide?
The InChIKey is KZZSLEFWPVOCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O/c18-15-9-5-4-8-14(15)12-21-16(10-11-19-21)20-17(22)13-6-2-1-3-7-13/h4-5,8-11,13H,1-3,6-7,12H2,(H,20,22).
What are the key properties of N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]cyclohexanecarboxamide?
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]cyclohexanecarboxamide has a molecular weight of 317.82 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]cyclohexanecarboxamide is sourced from PubChem (CID 18193306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).