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

C15H16BrN3O — CID 5330988

IUPAC4-bromo-N-(5-cyclopentyl-1H-pyrazol-3-yl)benzamide
SMILESO=C(Nc1cc(C2CCCC2)[nH]n1)c1ccc(Br)cc1
InChIInChI=1S/C15H16BrN3O/c16-12-7-5-11(6-8-12)15(20)17-14-9-13(18-19-14)10-3-1-2-4-10/h5-10H,1-4H2,(H2,17,18,19,20)
InChIKeyKTIAVDWJHSVFJO-UHFFFAOYSA-N
MW334.22 g/mol
LogP4.08
Rot. Bonds3

About 4-bromo-N-(5-cyclopentyl-1H-pyrazol-3-yl)benzamide

4-bromo-N-(5-cyclopentyl-1H-pyrazol-3-yl)benzamide (PubChem CID 5330988) has the molecular formula C15H16BrN3O and a molecular weight of 334.22 g/mol. Its IUPAC name is 4-bromo-N-(5-cyclopentyl-1H-pyrazol-3-yl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(5-cyclopentyl-1H-pyrazol-3-yl)benzamide
PubChem CID5330988
Molecular FormulaC15H16BrN3O
Molecular Weight334.22 g/mol
Exact Mass333.05
IUPAC Name4-bromo-N-(5-cyclopentyl-1H-pyrazol-3-yl)benzamide
SMILESO=C(Nc1cc(C2CCCC2)[nH]n1)c1ccc(Br)cc1
InChIInChI=1S/C15H16BrN3O/c16-12-7-5-11(6-8-12)15(20)17-14-9-13(18-19-14)10-3-1-2-4-10/h5-10H,1-4H2,(H2,17,18,19,20)
InChIKeyKTIAVDWJHSVFJO-UHFFFAOYSA-N
XLogP4.08
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(5-cyclopentyl-1H-pyrazol-3-yl)benzamide?
The IUPAC name of 4-bromo-N-(5-cyclopentyl-1H-pyrazol-3-yl)benzamide (CID 5330988) is 4-bromo-N-(5-cyclopentyl-1H-pyrazol-3-yl)benzamide.
What is the SMILES notation for 4-bromo-N-(5-cyclopentyl-1H-pyrazol-3-yl)benzamide?
The canonical SMILES for 4-bromo-N-(5-cyclopentyl-1H-pyrazol-3-yl)benzamide is O=C(Nc1cc(C2CCCC2)[nH]n1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(5-cyclopentyl-1H-pyrazol-3-yl)benzamide?
The InChIKey is KTIAVDWJHSVFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O/c16-12-7-5-11(6-8-12)15(20)17-14-9-13(18-19-14)10-3-1-2-4-10/h5-10H,1-4H2,(H2,17,18,19,20).
What are the key properties of 4-bromo-N-(5-cyclopentyl-1H-pyrazol-3-yl)benzamide?
4-bromo-N-(5-cyclopentyl-1H-pyrazol-3-yl)benzamide has a molecular weight of 334.22 g/mol, XLogP of 4.08, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(5-cyclopentyl-1H-pyrazol-3-yl)benzamide is sourced from PubChem (CID 5330988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).