1-(4-bromophenyl)-N-(2-hydroxyphenyl)-5-methylpyrazole-4-carboxamide

C17H14BrN3O2 — CID 32908999

IUPAC1-(4-bromophenyl)-N-(2-hydroxyphenyl)-5-methylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccccc2O)cnn1-c1ccc(Br)cc1
InChIInChI=1S/C17H14BrN3O2/c1-11-14(17(23)20-15-4-2-3-5-16(15)22)10-19-21(11)13-8-6-12(18)7-9-13/h2-10,22H,1H3,(H,20,23)
InChIKeyITKDHNAJQJOXIB-UHFFFAOYSA-N
MW372.22 g/mol
LogP3.90
Rot. Bonds3

About 1-(4-bromophenyl)-N-(2-hydroxyphenyl)-5-methylpyrazole-4-carboxamide

1-(4-bromophenyl)-N-(2-hydroxyphenyl)-5-methylpyrazole-4-carboxamide (PubChem CID 32908999) has the molecular formula C17H14BrN3O2 and a molecular weight of 372.22 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-(2-hydroxyphenyl)-5-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-(2-hydroxyphenyl)-5-methylpyrazole-4-carboxamide
PubChem CID32908999
Molecular FormulaC17H14BrN3O2
Molecular Weight372.22 g/mol
Exact Mass371.03
IUPAC Name1-(4-bromophenyl)-N-(2-hydroxyphenyl)-5-methylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccccc2O)cnn1-c1ccc(Br)cc1
InChIInChI=1S/C17H14BrN3O2/c1-11-14(17(23)20-15-4-2-3-5-16(15)22)10-19-21(11)13-8-6-12(18)7-9-13/h2-10,22H,1H3,(H,20,23)
InChIKeyITKDHNAJQJOXIB-UHFFFAOYSA-N
XLogP3.90
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.22
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 1-(4-bromophenyl)-N-(2-hydroxyphenyl)-5-methylpyrazole-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-(2-chlorophenyl)-5-methylpyrazole-4-carboxamide
CID 31777513
N-(4-bromophenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 41482979
1-(4-bromophenyl)-N-[2-[(2-hydroxybenzoyl)amino]ethyl]-5-methylpyrazole-4-carboxamide
CID 60572248
2-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]benzoic acid
CID 108804246
N-(5-tert-butyl-2-hydroxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 86912856
1-(4-bromophenyl)-N-(2,5-dimethoxyphenyl)-5-methylpyrazole-4-carboxamide
CID 31940513
2-[4-hydroxy-3-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]phenyl]acetic acid
CID 108741734
1-(4-bromophenyl)-N-(3-methoxyphenyl)-5-methylpyrazole-4-carboxamide
CID 36704733
N-(1-benzylpyrazol-4-yl)-1-(4-bromophenyl)-5-methylpyrazole-4-carboxamide
CID 55947460
1-(4-bromophenyl)-5-methyl-N-prop-2-ynylpyrazole-4-carboxamide
CID 32693366
ethyl 2-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]benzoate
CID 38074348
1-(4-bromophenyl)-5-methyl-N-[4-(1,2,4-triazol-1-yl)phenyl]pyrazole-4-carboxamide
CID 37120145

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-(2-hydroxyphenyl)-5-methylpyrazole-4-carboxamide?
The IUPAC name of 1-(4-bromophenyl)-N-(2-hydroxyphenyl)-5-methylpyrazole-4-carboxamide (CID 32908999) is 1-(4-bromophenyl)-N-(2-hydroxyphenyl)-5-methylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)-N-(2-hydroxyphenyl)-5-methylpyrazole-4-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)-N-(2-hydroxyphenyl)-5-methylpyrazole-4-carboxamide is Cc1c(C(=O)Nc2ccccc2O)cnn1-c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N-(2-hydroxyphenyl)-5-methylpyrazole-4-carboxamide?
The InChIKey is ITKDHNAJQJOXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN3O2/c1-11-14(17(23)20-15-4-2-3-5-16(15)22)10-19-21(11)13-8-6-12(18)7-9-13/h2-10,22H,1H3,(H,20,23).
What are the key properties of 1-(4-bromophenyl)-N-(2-hydroxyphenyl)-5-methylpyrazole-4-carboxamide?
1-(4-bromophenyl)-N-(2-hydroxyphenyl)-5-methylpyrazole-4-carboxamide has a molecular weight of 372.22 g/mol, XLogP of 3.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-(2-hydroxyphenyl)-5-methylpyrazole-4-carboxamide is sourced from PubChem (CID 32908999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).