3-(4-bromophenyl)-N-cyclopropyl-1H-pyrazole-5-carboxamide

C13H12BrN3O — CID 9247830

IUPAC3-(4-bromophenyl)-N-cyclopropyl-1H-pyrazole-5-carboxamide
SMILESO=C(NC1CC1)c1cc(-c2ccc(Br)cc2)n[nH]1
InChIInChI=1S/C13H12BrN3O/c14-9-3-1-8(2-4-9)11-7-12(17-16-11)13(18)15-10-5-6-10/h1-4,7,10H,5-6H2,(H,15,18)(H,16,17)
InChIKeySUPMXQISBNUWGT-UHFFFAOYSA-N
MW306.16 g/mol
LogP2.73
Rot. Bonds3

About 3-(4-bromophenyl)-N-cyclopropyl-1H-pyrazole-5-carboxamide

3-(4-bromophenyl)-N-cyclopropyl-1H-pyrazole-5-carboxamide (PubChem CID 9247830) has the molecular formula C13H12BrN3O and a molecular weight of 306.16 g/mol. Its IUPAC name is 3-(4-bromophenyl)-N-cyclopropyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-bromophenyl)-N-cyclopropyl-1H-pyrazole-5-carboxamide
PubChem CID9247830
Molecular FormulaC13H12BrN3O
Molecular Weight306.16 g/mol
Exact Mass305.02
IUPAC Name3-(4-bromophenyl)-N-cyclopropyl-1H-pyrazole-5-carboxamide
SMILESO=C(NC1CC1)c1cc(-c2ccc(Br)cc2)n[nH]1
InChIInChI=1S/C13H12BrN3O/c14-9-3-1-8(2-4-9)11-7-12(17-16-11)13(18)15-10-5-6-10/h1-4,7,10H,5-6H2,(H,15,18)(H,16,17)
InChIKeySUPMXQISBNUWGT-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1S,3R)-3-[[3-(4-bromophenyl)-1H-pyrazole-5-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120677069
3-(4-bromophenyl)-N-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazole-5-carboxamide
CID 37287270
3-(4-bromophenyl)-N-[1-(cyanomethyl)piperidin-4-yl]-1H-pyrazole-5-carboxamide
CID 166179780
N-cycloheptyl-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 19514437
3-(4-bromophenyl)-N-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-1H-pyrazole-5-carboxamide
CID 166198634
cis-(1R,3S)-3-[[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120678002
3-(4-bromophenyl)-N-(2-sulfanylethyl)-1H-pyrazole-5-carboxamide
CID 141406980
N-(4-bromophenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 45030503
N-cyclohexyl-3-(1H-pyrrol-3-yl)-1H-pyrazole-5-carboxamide
CID 136655088
3-phenyl-N-(4-pyrimidin-2-yloxycyclohexyl)-1H-pyrazole-5-carboxamide
CID 90633193
3-(4-bromophenyl)-N-(oxolan-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 20918075
3-(4-methylphenyl)-N-[1-(2-methylpropyl)piperidin-4-yl]-1H-pyrazole-5-carboxamide
CID 78870645

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-N-cyclopropyl-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(4-bromophenyl)-N-cyclopropyl-1H-pyrazole-5-carboxamide (CID 9247830) is 3-(4-bromophenyl)-N-cyclopropyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-bromophenyl)-N-cyclopropyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-bromophenyl)-N-cyclopropyl-1H-pyrazole-5-carboxamide is O=C(NC1CC1)c1cc(-c2ccc(Br)cc2)n[nH]1.
What is the InChIKey of 3-(4-bromophenyl)-N-cyclopropyl-1H-pyrazole-5-carboxamide?
The InChIKey is SUPMXQISBNUWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3O/c14-9-3-1-8(2-4-9)11-7-12(17-16-11)13(18)15-10-5-6-10/h1-4,7,10H,5-6H2,(H,15,18)(H,16,17).
What are the key properties of 3-(4-bromophenyl)-N-cyclopropyl-1H-pyrazole-5-carboxamide?
3-(4-bromophenyl)-N-cyclopropyl-1H-pyrazole-5-carboxamide has a molecular weight of 306.16 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-N-cyclopropyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 9247830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).