N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide

C13H15N3O — CID 47404990

IUPACN-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
SMILESCC(C)c1cc(NC(=O)c2ccccc2)n[nH]1
InChIInChI=1S/C13H15N3O/c1-9(2)11-8-12(16-15-11)14-13(17)10-6-4-3-5-7-10/h3-9H,1-2H3,(H2,14,15,16,17)
InChIKeyOKXCLZYXYFVSQK-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.79
Rot. Bonds3

About N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide

N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide (PubChem CID 47404990) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide.

Molecular Properties

Compound NameN-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
PubChem CID47404990
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC NameN-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
SMILESCC(C)c1cc(NC(=O)c2ccccc2)n[nH]1
InChIInChI=1S/C13H15N3O/c1-9(2)11-8-12(16-15-11)14-13(17)10-6-4-3-5-7-10/h3-9H,1-2H3,(H2,14,15,16,17)
InChIKeyOKXCLZYXYFVSQK-UHFFFAOYSA-N
XLogP2.79
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 47404997
N-(5-propan-2-yl-1H-pyrazol-3-yl)naphthalene-2-carboxamide
CID 47935018
4-bromo-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 5330993
4-(carbamoylamino)-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 115592993
2-fluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine-4-carboxamide
CID 103633643
2-chloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine-4-carboxamide
CID 47404862
3-bromo-4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 112696168
3-fluoro-4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 47404897
4-amino-3,5-dichloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 115868449
1-benzyl-3-(5-propan-2-yl-1H-pyrazol-3-yl)urea
CID 103720486
5-fluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine-3-carboxamide
CID 115694778
(E)-3-phenyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)prop-2-enamide
CID 104619831

Frequently Asked Questions

What is the IUPAC name of N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide?
The IUPAC name of N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide (CID 47404990) is N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide.
What is the SMILES notation for N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide?
The canonical SMILES for N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide is CC(C)c1cc(NC(=O)c2ccccc2)n[nH]1.
What is the InChIKey of N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide?
The InChIKey is OKXCLZYXYFVSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-9(2)11-8-12(16-15-11)14-13(17)10-6-4-3-5-7-10/h3-9H,1-2H3,(H2,14,15,16,17).
What are the key properties of N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide?
N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide has a molecular weight of 229.28 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide is sourced from PubChem (CID 47404990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).