4-chloro-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)benzamide

C14H16ClN3O — CID 45284687

IUPAC4-chloro-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)benzamide
SMILESCc1cc(NC(=O)c2ccc(Cl)cc2)n(C(C)C)n1
InChIInChI=1S/C14H16ClN3O/c1-9(2)18-13(8-10(3)17-18)16-14(19)11-4-6-12(15)7-5-11/h4-9H,1-3H3,(H,16,19)
InChIKeyUWUQLSURWDPIPB-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.68
Rot. Bonds3

About 4-chloro-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)benzamide

4-chloro-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)benzamide (PubChem CID 45284687) has the molecular formula C14H16ClN3O and a molecular weight of 277.75 g/mol. Its IUPAC name is 4-chloro-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)benzamide
PubChem CID45284687
Molecular FormulaC14H16ClN3O
Molecular Weight277.75 g/mol
Exact Mass277.10
IUPAC Name4-chloro-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)benzamide
SMILESCc1cc(NC(=O)c2ccc(Cl)cc2)n(C(C)C)n1
InChIInChI=1S/C14H16ClN3O/c1-9(2)18-13(8-10(3)17-18)16-14(19)11-4-6-12(15)7-5-11/h4-9H,1-3H3,(H,16,19)
InChIKeyUWUQLSURWDPIPB-UHFFFAOYSA-N
XLogP3.68
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]benzamide
CID 2352147
N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-2-oxo-3H-1,3-benzothiazole-6-carboxamide
CID 166334211
4-[benzyl(ethyl)sulfamoyl]-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)benzamide
CID 42110600
N-(2,5-dimethylpyrazol-3-yl)-4-propan-2-yloxybenzamide
CID 45284563
4-tert-butyl-N-(2,5-dimethylpyrazol-3-yl)benzamide
CID 10038843
4-[(4-chlorophenyl)sulfanylmethyl]-N-(2-propan-2-ylpyrazol-3-yl)benzamide
CID 112793477
4-chloro-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]benzamide
CID 34846987
3-chloro-N-(2-ethyl-5-methylpyrazol-3-yl)benzamide
CID 45284642
N-(2-ethyl-5-methylpyrazol-3-yl)-4-ethylsulfanylbenzamide
CID 45284668
4-chloro-N-[3-[(4-chlorobenzoyl)amino]-2,4,6-trimethylphenyl]benzamide
CID 1268889
4-chloro-N-[2-(1-ethylbenzimidazol-2-yl)-5-methylpyrazol-3-yl]benzamide
CID 23848230
2,5-dichloro-N-(2,5-dimethylpyrazol-3-yl)benzamide
CID 45284555

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)benzamide?
The IUPAC name of 4-chloro-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)benzamide (CID 45284687) is 4-chloro-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)benzamide.
What is the SMILES notation for 4-chloro-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)benzamide?
The canonical SMILES for 4-chloro-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)benzamide is Cc1cc(NC(=O)c2ccc(Cl)cc2)n(C(C)C)n1.
What is the InChIKey of 4-chloro-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)benzamide?
The InChIKey is UWUQLSURWDPIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-9(2)18-13(8-10(3)17-18)16-14(19)11-4-6-12(15)7-5-11/h4-9H,1-3H3,(H,16,19).
What are the key properties of 4-chloro-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)benzamide?
4-chloro-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)benzamide has a molecular weight of 277.75 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)benzamide is sourced from PubChem (CID 45284687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).