3-bromo-N-(5-cyclopropyl-1H-pyrazol-3-yl)benzamide

C13H12BrN3O — CID 5330978

IUPAC3-bromo-N-(5-cyclopropyl-1H-pyrazol-3-yl)benzamide
SMILESO=C(Nc1cc(C2CC2)[nH]n1)c1cccc(Br)c1
InChIInChI=1S/C13H12BrN3O/c14-10-3-1-2-9(6-10)13(18)15-12-7-11(16-17-12)8-4-5-8/h1-3,6-8H,4-5H2,(H2,15,16,17,18)
InChIKeyJZIBYQSTSSPYNE-UHFFFAOYSA-N
MW306.16 g/mol
LogP3.30
Rot. Bonds3

About 3-bromo-N-(5-cyclopropyl-1H-pyrazol-3-yl)benzamide

3-bromo-N-(5-cyclopropyl-1H-pyrazol-3-yl)benzamide (PubChem CID 5330978) has the molecular formula C13H12BrN3O and a molecular weight of 306.16 g/mol. Its IUPAC name is 3-bromo-N-(5-cyclopropyl-1H-pyrazol-3-yl)benzamide.

Molecular Properties

Compound Name3-bromo-N-(5-cyclopropyl-1H-pyrazol-3-yl)benzamide
PubChem CID5330978
Molecular FormulaC13H12BrN3O
Molecular Weight306.16 g/mol
Exact Mass305.02
IUPAC Name3-bromo-N-(5-cyclopropyl-1H-pyrazol-3-yl)benzamide
SMILESO=C(Nc1cc(C2CC2)[nH]n1)c1cccc(Br)c1
InChIInChI=1S/C13H12BrN3O/c14-10-3-1-2-9(6-10)13(18)15-12-7-11(16-17-12)8-4-5-8/h1-3,6-8H,4-5H2,(H2,15,16,17,18)
InChIKeyJZIBYQSTSSPYNE-UHFFFAOYSA-N
XLogP3.30
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.16
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-Cyclopropyl-1h-Pyrazol-3-Yl)Benzamide
CID 449088
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-fluoro-2-phenylacetamide
CID 5330942
4-bromo-N-(5-cyclopropyl-1H-pyrazol-3-yl)benzamide
CID 5330973
4-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)benzamide
CID 5330974
N-(5-Cyclopropyl-1h-Pyrazol-3-Yl)benzene-1,4-Dicarboxamide
CID 5330977
3-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)benzamide
CID 5330979
N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)benzamide
CID 5330981
2-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)benzamide
CID 5330983
4-bromo-N-(5-cyclobutyl-1H-pyrazol-3-yl)benzamide
CID 5330987
4-bromo-N-(5-cyclopentyl-1H-pyrazol-3-yl)benzamide
CID 5330988
4-bromo-N-(5-cyclohexyl-1H-pyrazol-3-yl)benzamide
CID 5330989
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenylacetamide
CID 5330998

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(5-cyclopropyl-1H-pyrazol-3-yl)benzamide?
The IUPAC name of 3-bromo-N-(5-cyclopropyl-1H-pyrazol-3-yl)benzamide (CID 5330978) is 3-bromo-N-(5-cyclopropyl-1H-pyrazol-3-yl)benzamide.
What is the SMILES notation for 3-bromo-N-(5-cyclopropyl-1H-pyrazol-3-yl)benzamide?
The canonical SMILES for 3-bromo-N-(5-cyclopropyl-1H-pyrazol-3-yl)benzamide is O=C(Nc1cc(C2CC2)[nH]n1)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-(5-cyclopropyl-1H-pyrazol-3-yl)benzamide?
The InChIKey is JZIBYQSTSSPYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3O/c14-10-3-1-2-9(6-10)13(18)15-12-7-11(16-17-12)8-4-5-8/h1-3,6-8H,4-5H2,(H2,15,16,17,18).
What are the key properties of 3-bromo-N-(5-cyclopropyl-1H-pyrazol-3-yl)benzamide?
3-bromo-N-(5-cyclopropyl-1H-pyrazol-3-yl)benzamide has a molecular weight of 306.16 g/mol, XLogP of 3.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(5-cyclopropyl-1H-pyrazol-3-yl)benzamide is sourced from PubChem (CID 5330978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).