2-chloro-N-(oxan-4-yl)-5-pyrazol-1-ylbenzamide

C15H16ClN3O2 — CID 119060260

IUPAC2-chloro-N-(oxan-4-yl)-5-pyrazol-1-ylbenzamide
SMILESO=C(NC1CCOCC1)c1cc(-n2cccn2)ccc1Cl
InChIInChI=1S/C15H16ClN3O2/c16-14-3-2-12(19-7-1-6-17-19)10-13(14)15(20)18-11-4-8-21-9-5-11/h1-3,6-7,10-11H,4-5,8-9H2,(H,18,20)
InChIKeyUVQSPCKDJCHKTK-UHFFFAOYSA-N
MW305.76 g/mol
LogP2.43
Rot. Bonds3

About 2-chloro-N-(oxan-4-yl)-5-pyrazol-1-ylbenzamide

2-chloro-N-(oxan-4-yl)-5-pyrazol-1-ylbenzamide (PubChem CID 119060260) has the molecular formula C15H16ClN3O2 and a molecular weight of 305.76 g/mol. Its IUPAC name is 2-chloro-N-(oxan-4-yl)-5-pyrazol-1-ylbenzamide.

Molecular Properties

Compound Name2-chloro-N-(oxan-4-yl)-5-pyrazol-1-ylbenzamide
PubChem CID119060260
Molecular FormulaC15H16ClN3O2
Molecular Weight305.76 g/mol
Exact Mass305.09
IUPAC Name2-chloro-N-(oxan-4-yl)-5-pyrazol-1-ylbenzamide
SMILESO=C(NC1CCOCC1)c1cc(-n2cccn2)ccc1Cl
InChIInChI=1S/C15H16ClN3O2/c16-14-3-2-12(19-7-1-6-17-19)10-13(14)15(20)18-11-4-8-21-9-5-11/h1-3,6-7,10-11H,4-5,8-9H2,(H,18,20)
InChIKeyUVQSPCKDJCHKTK-UHFFFAOYSA-N
XLogP2.43
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(2-oxabicyclo[3.2.0]heptan-6-yl)-5-pyrazol-1-ylbenzamide
CID 156608627
methyl (2S,4R)-4-[(2-chloro-5-pyrazol-1-ylbenzoyl)amino]-1-methylpyrrolidine-2-carboxylate
CID 50956226
2-chloro-N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-5-pyrazol-1-ylbenzamide
CID 131924324
N-(4-hydroxycyclohexyl)-4-pyrazol-1-ylpyridine-2-carboxamide
CID 111433062
1-(3,4-dichlorophenyl)pyrazole
CID 20572459
N-(4-aminocyclohexyl)-4-pyrazol-1-ylpyridine-2-carboxamide
CID 119474816
2-chloro-N-[1-(methylcarbamoyl)cyclohexyl]-5-pyrazol-1-ylbenzamide
CID 77095745
2-chloro-N-[(5-methylpyrazin-2-yl)methyl]-5-pyrazol-1-ylbenzamide
CID 119059713
4-chloro-N-cyclobutyl-1-[(4-pyrazol-1-ylphenyl)methoxy]naphthalene-2-carboxamide;formic acid
CID 174546186
4-amino-2-chloro-N-(oxan-4-yl)benzamide;hydrochloride
CID 119724858
2-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-pyrazol-1-ylbenzamide
CID 77091034
2-chloro-N-ethyl-N-(oxolan-2-ylmethyl)-5-pyrazol-1-ylbenzamide
CID 77078809

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(oxan-4-yl)-5-pyrazol-1-ylbenzamide?
The IUPAC name of 2-chloro-N-(oxan-4-yl)-5-pyrazol-1-ylbenzamide (CID 119060260) is 2-chloro-N-(oxan-4-yl)-5-pyrazol-1-ylbenzamide.
What is the SMILES notation for 2-chloro-N-(oxan-4-yl)-5-pyrazol-1-ylbenzamide?
The canonical SMILES for 2-chloro-N-(oxan-4-yl)-5-pyrazol-1-ylbenzamide is O=C(NC1CCOCC1)c1cc(-n2cccn2)ccc1Cl.
What is the InChIKey of 2-chloro-N-(oxan-4-yl)-5-pyrazol-1-ylbenzamide?
The InChIKey is UVQSPCKDJCHKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2/c16-14-3-2-12(19-7-1-6-17-19)10-13(14)15(20)18-11-4-8-21-9-5-11/h1-3,6-7,10-11H,4-5,8-9H2,(H,18,20).
What are the key properties of 2-chloro-N-(oxan-4-yl)-5-pyrazol-1-ylbenzamide?
2-chloro-N-(oxan-4-yl)-5-pyrazol-1-ylbenzamide has a molecular weight of 305.76 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(oxan-4-yl)-5-pyrazol-1-ylbenzamide is sourced from PubChem (CID 119060260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).