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

C15H16ClN3O — CID 17406614

IUPACN-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]cyclobutanecarboxamide
SMILESO=C(Nc1ccnn1Cc1ccccc1Cl)C1CCC1
InChIInChI=1S/C15H16ClN3O/c16-13-7-2-1-4-12(13)10-19-14(8-9-17-19)18-15(20)11-5-3-6-11/h1-2,4,7-9,11H,3,5-6,10H2,(H,18,20)
InChIKeyOZZDSLFIDKSFPY-UHFFFAOYSA-N
MW289.77 g/mol
LogP3.32
Rot. Bonds4

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

N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]cyclobutanecarboxamide (PubChem CID 17406614) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]cyclobutanecarboxamide
PubChem CID17406614
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC NameN-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]cyclobutanecarboxamide
SMILESO=C(Nc1ccnn1Cc1ccccc1Cl)C1CCC1
InChIInChI=1S/C15H16ClN3O/c16-13-7-2-1-4-12(13)10-19-14(8-9-17-19)18-15(20)11-5-3-6-11/h1-2,4,7-9,11H,3,5-6,10H2,(H,18,20)
InChIKeyOZZDSLFIDKSFPY-UHFFFAOYSA-N
XLogP3.32
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]cyclohexanecarboxamide
CID 18193306
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
N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]cyclobutanecarboxamide
CID 8911676
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
3-N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 112799172
3-amino-N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]cyclopentane-1-carboxamide;hydrochloride
CID 119696113
N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-1-(2-methylbenzoyl)piperidine-4-carboxamide
CID 24509873
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 43049846

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]cyclobutanecarboxamide?
The IUPAC name of N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]cyclobutanecarboxamide (CID 17406614) is N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]cyclobutanecarboxamide is O=C(Nc1ccnn1Cc1ccccc1Cl)C1CCC1.
What is the InChIKey of N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]cyclobutanecarboxamide?
The InChIKey is OZZDSLFIDKSFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c16-13-7-2-1-4-12(13)10-19-14(8-9-17-19)18-15(20)11-5-3-6-11/h1-2,4,7-9,11H,3,5-6,10H2,(H,18,20).
What are the key properties of N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]cyclobutanecarboxamide?
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]cyclobutanecarboxamide has a molecular weight of 289.77 g/mol, XLogP of 3.32, 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]cyclobutanecarboxamide is sourced from PubChem (CID 17406614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).