1-(4-bromophenyl)-N-cyclopropylpyrazole-4-carboxamide

C13H12BrN3O — CID 47242136

IUPAC1-(4-bromophenyl)-N-cyclopropylpyrazole-4-carboxamide
SMILESO=C(NC1CC1)c1cnn(-c2ccc(Br)cc2)c1
InChIInChI=1S/C13H12BrN3O/c14-10-1-5-12(6-2-10)17-8-9(7-15-17)13(18)16-11-3-4-11/h1-2,5-8,11H,3-4H2,(H,16,18)
InChIKeyGLMJUGGFVVEJME-UHFFFAOYSA-N
MW306.16 g/mol
LogP2.53
Rot. Bonds3

About 1-(4-bromophenyl)-N-cyclopropylpyrazole-4-carboxamide

1-(4-bromophenyl)-N-cyclopropylpyrazole-4-carboxamide (PubChem CID 47242136) has the molecular formula C13H12BrN3O and a molecular weight of 306.16 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-cyclopropylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-cyclopropylpyrazole-4-carboxamide
PubChem CID47242136
Molecular FormulaC13H12BrN3O
Molecular Weight306.16 g/mol
Exact Mass305.02
IUPAC Name1-(4-bromophenyl)-N-cyclopropylpyrazole-4-carboxamide
SMILESO=C(NC1CC1)c1cnn(-c2ccc(Br)cc2)c1
InChIInChI=1S/C13H12BrN3O/c14-10-1-5-12(6-2-10)17-8-9(7-15-17)13(18)16-11-3-4-11/h1-2,5-8,11H,3-4H2,(H,16,18)
InChIKeyGLMJUGGFVVEJME-UHFFFAOYSA-N
XLogP2.53
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.16
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-bromophenyl)-N-cyclopropylpyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-bromophenyl)-N-pyrrolidin-3-ylpyrazole-4-carboxamide
CID 119453521
N-(4-aminocyclohexyl)-1-(3-bromophenyl)pyrazole-4-carboxamide
CID 119475387
1-(4-bromophenyl)-N-(3-methylpiperidin-4-yl)pyrazole-4-carboxamide
CID 120557850
1-(3-chlorophenyl)-N-(4-hydroxycyclohexyl)pyrazole-4-carboxamide
CID 110899894
1-(4-bromophenyl)-N-(3-hydroxypropyl)pyrazole-4-carboxamide
CID 78888800
1-(4-bromophenyl)pyrazole-4-carboxylic acid
CID 11601417
1-(4-bromophenyl)-N-[3-(cyclopropylmethoxy)propyl]pyrazole-4-carboxamide
CID 55792306
1-(4-bromophenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119513926
1-(4-bromophenyl)-N-hexylpyrazole-4-carboxamide
CID 55771523
1-(4-bromophenyl)-N-[2-(ethylamino)ethyl]pyrazole-4-carboxamide;hydrochloride
CID 119508703
1-phenyl-N-[(3R)-piperidin-3-yl]pyrazole-4-carboxamide
CID 28742838
1-(4-bromophenyl)-N-[4-(3,5-dimethylpiperidin-1-yl)butyl]pyrazole-4-carboxamide
CID 55964472

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-cyclopropylpyrazole-4-carboxamide?
The IUPAC name of 1-(4-bromophenyl)-N-cyclopropylpyrazole-4-carboxamide (CID 47242136) is 1-(4-bromophenyl)-N-cyclopropylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)-N-cyclopropylpyrazole-4-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)-N-cyclopropylpyrazole-4-carboxamide is O=C(NC1CC1)c1cnn(-c2ccc(Br)cc2)c1.
What is the InChIKey of 1-(4-bromophenyl)-N-cyclopropylpyrazole-4-carboxamide?
The InChIKey is GLMJUGGFVVEJME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3O/c14-10-1-5-12(6-2-10)17-8-9(7-15-17)13(18)16-11-3-4-11/h1-2,5-8,11H,3-4H2,(H,16,18).
What are the key properties of 1-(4-bromophenyl)-N-cyclopropylpyrazole-4-carboxamide?
1-(4-bromophenyl)-N-cyclopropylpyrazole-4-carboxamide has a molecular weight of 306.16 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-cyclopropylpyrazole-4-carboxamide is sourced from PubChem (CID 47242136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).