N-(4-bromo-3-methyl-1-phenylpyrazol-5-yl)benzamide

C17H14BrN3O — CID 2316277

IUPACN-(4-bromo-3-methyl-1-phenylpyrazol-5-yl)benzamide
SMILESCc1nn(-c2ccccc2)c(NC(=O)c2ccccc2)c1Br
InChIInChI=1S/C17H14BrN3O/c1-12-15(18)16(19-17(22)13-8-4-2-5-9-13)21(20-12)14-10-6-3-7-11-14/h2-11H,1H3,(H,19,22)
InChIKeyUFVBHSMQIHMPHZ-UHFFFAOYSA-N
MW356.22 g/mol
LogP4.20
Rot. Bonds3

About N-(4-bromo-3-methyl-1-phenylpyrazol-5-yl)benzamide

N-(4-bromo-3-methyl-1-phenylpyrazol-5-yl)benzamide (PubChem CID 2316277) has the molecular formula C17H14BrN3O and a molecular weight of 356.22 g/mol. Its IUPAC name is N-(4-bromo-3-methyl-1-phenylpyrazol-5-yl)benzamide.

Molecular Properties

Compound NameN-(4-bromo-3-methyl-1-phenylpyrazol-5-yl)benzamide
PubChem CID2316277
Molecular FormulaC17H14BrN3O
Molecular Weight356.22 g/mol
Exact Mass355.03
IUPAC NameN-(4-bromo-3-methyl-1-phenylpyrazol-5-yl)benzamide
SMILESCc1nn(-c2ccccc2)c(NC(=O)c2ccccc2)c1Br
InChIInChI=1S/C17H14BrN3O/c1-12-15(18)16(19-17(22)13-8-4-2-5-9-13)21(20-12)14-10-6-3-7-11-14/h2-11H,1H3,(H,19,22)
InChIKeyUFVBHSMQIHMPHZ-UHFFFAOYSA-N
XLogP4.20
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.22
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methyl-1-phenylpyrazol-5-yl)benzamide?
The IUPAC name of N-(4-bromo-3-methyl-1-phenylpyrazol-5-yl)benzamide (CID 2316277) is N-(4-bromo-3-methyl-1-phenylpyrazol-5-yl)benzamide.
What is the SMILES notation for N-(4-bromo-3-methyl-1-phenylpyrazol-5-yl)benzamide?
The canonical SMILES for N-(4-bromo-3-methyl-1-phenylpyrazol-5-yl)benzamide is Cc1nn(-c2ccccc2)c(NC(=O)c2ccccc2)c1Br.
What is the InChIKey of N-(4-bromo-3-methyl-1-phenylpyrazol-5-yl)benzamide?
The InChIKey is UFVBHSMQIHMPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN3O/c1-12-15(18)16(19-17(22)13-8-4-2-5-9-13)21(20-12)14-10-6-3-7-11-14/h2-11H,1H3,(H,19,22).
What are the key properties of N-(4-bromo-3-methyl-1-phenylpyrazol-5-yl)benzamide?
N-(4-bromo-3-methyl-1-phenylpyrazol-5-yl)benzamide has a molecular weight of 356.22 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methyl-1-phenylpyrazol-5-yl)benzamide is sourced from PubChem (CID 2316277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).