4-propan-2-yl-N-(2-pyrazol-1-ylphenyl)benzamide

C19H19N3O — CID 47045211

IUPAC4-propan-2-yl-N-(2-pyrazol-1-ylphenyl)benzamide
SMILESCC(C)c1ccc(C(=O)Nc2ccccc2-n2cccn2)cc1
InChIInChI=1S/C19H19N3O/c1-14(2)15-8-10-16(11-9-15)19(23)21-17-6-3-4-7-18(17)22-13-5-12-20-22/h3-14H,1-2H3,(H,21,23)
InChIKeyUCBHMKMIMCWLIO-UHFFFAOYSA-N
MW305.38 g/mol
LogP4.25
Rot. Bonds4

About 4-propan-2-yl-N-(2-pyrazol-1-ylphenyl)benzamide

4-propan-2-yl-N-(2-pyrazol-1-ylphenyl)benzamide (PubChem CID 47045211) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is 4-propan-2-yl-N-(2-pyrazol-1-ylphenyl)benzamide.

Molecular Properties

Compound Name4-propan-2-yl-N-(2-pyrazol-1-ylphenyl)benzamide
PubChem CID47045211
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name4-propan-2-yl-N-(2-pyrazol-1-ylphenyl)benzamide
SMILESCC(C)c1ccc(C(=O)Nc2ccccc2-n2cccn2)cc1
InChIInChI=1S/C19H19N3O/c1-14(2)15-8-10-16(11-9-15)19(23)21-17-6-3-4-7-18(17)22-13-5-12-20-22/h3-14H,1-2H3,(H,21,23)
InChIKeyUCBHMKMIMCWLIO-UHFFFAOYSA-N
XLogP4.25
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-propan-2-ylphenyl)-2-(2-pyrazol-1-ylanilino)acetamide
CID 55897440
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CID 61041740
3-amino-N-(2-pyrazol-1-ylphenyl)butanamide
CID 60837811
1,1-dimethyl-3-(2-pyrazol-1-ylphenyl)urea
CID 110470431
N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-4-propan-2-ylbenzamide
CID 40604042
4-amino-N-(2-pyrazol-1-ylphenyl)pentanamide;hydrochloride
CID 120558593
6-bromo-N-(2-pyrazol-1-ylphenyl)pyridine-2-carboxamide
CID 103874264
3-methyl-N-(2-pyrazol-1-ylphenyl)but-2-enamide
CID 47234607
1-pentan-2-yl-3-(2-pyrazol-1-ylphenyl)urea
CID 47040904
N-methyl-2-[(4-pyrazol-1-ylbenzoyl)amino]benzamide
CID 43020845
N-(2-ethylphenyl)-4-pyrazol-1-ylbenzamide
CID 2992386
3-bromo-2,6-dichloro-N-(2-pyrazol-1-ylphenyl)benzamide
CID 132992182

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-N-(2-pyrazol-1-ylphenyl)benzamide?
The IUPAC name of 4-propan-2-yl-N-(2-pyrazol-1-ylphenyl)benzamide (CID 47045211) is 4-propan-2-yl-N-(2-pyrazol-1-ylphenyl)benzamide.
What is the SMILES notation for 4-propan-2-yl-N-(2-pyrazol-1-ylphenyl)benzamide?
The canonical SMILES for 4-propan-2-yl-N-(2-pyrazol-1-ylphenyl)benzamide is CC(C)c1ccc(C(=O)Nc2ccccc2-n2cccn2)cc1.
What is the InChIKey of 4-propan-2-yl-N-(2-pyrazol-1-ylphenyl)benzamide?
The InChIKey is UCBHMKMIMCWLIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c1-14(2)15-8-10-16(11-9-15)19(23)21-17-6-3-4-7-18(17)22-13-5-12-20-22/h3-14H,1-2H3,(H,21,23).
What are the key properties of 4-propan-2-yl-N-(2-pyrazol-1-ylphenyl)benzamide?
4-propan-2-yl-N-(2-pyrazol-1-ylphenyl)benzamide has a molecular weight of 305.38 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-N-(2-pyrazol-1-ylphenyl)benzamide is sourced from PubChem (CID 47045211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).