4-bromo-3-(2-chlorophenyl)-1H-pyrazole-5-carboxylic acid

C10H6BrClN2O2 — CID 50877116

IUPAC4-bromo-3-(2-chlorophenyl)-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1[nH]nc(-c2ccccc2Cl)c1Br
InChIInChI=1S/C10H6BrClN2O2/c11-7-8(13-14-9(7)10(15)16)5-3-1-2-4-6(5)12/h1-4H,(H,13,14)(H,15,16)
InChIKeyCPCHEKRUYGLQLP-UHFFFAOYSA-N
MW301.53 g/mol
LogP3.19
Rot. Bonds2

About 4-bromo-3-(2-chlorophenyl)-1H-pyrazole-5-carboxylic acid

4-bromo-3-(2-chlorophenyl)-1H-pyrazole-5-carboxylic acid (PubChem CID 50877116) has the molecular formula C10H6BrClN2O2 and a molecular weight of 301.53 g/mol. Its IUPAC name is 4-bromo-3-(2-chlorophenyl)-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name4-bromo-3-(2-chlorophenyl)-1H-pyrazole-5-carboxylic acid
PubChem CID50877116
Molecular FormulaC10H6BrClN2O2
Molecular Weight301.53 g/mol
Exact Mass299.93
IUPAC Name4-bromo-3-(2-chlorophenyl)-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1[nH]nc(-c2ccccc2Cl)c1Br
InChIInChI=1S/C10H6BrClN2O2/c11-7-8(13-14-9(7)10(15)16)5-3-1-2-4-6(5)12/h1-4H,(H,13,14)(H,15,16)
InChIKeyCPCHEKRUYGLQLP-UHFFFAOYSA-N
XLogP3.19
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.53
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-chlorophenyl)-3-phenyl-1H-pyrazole-5-carboxylic acid
CID 90221279
4-bromo-3-(3-bromophenyl)-1H-pyrazole-5-carboxylic acid
CID 45496321
4-bromo-3-(2,4-dimethoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 116858180
4-(2-chlorophenyl)-5-methyl-1H-imidazole-2-carboxylic acid
CID 105498309
3-(2-chlorophenyl)-4-[(3-methoxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid
CID 142699253
2-(2-chlorophenyl)-1H-pyrrole-3-carboxylic acid
CID 82392303
4-bromo-3-(2,5-difluoro-4-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 116858219
2-(2-chlorophenyl)pyridine-3-carboxylic acid
CID 52983918
4-bromo-1H-pyrazole-3,5-dicarboxylic acid
CID 1242249
4-bromo-3-(4-ethylsulfanylphenyl)-1H-pyrazole-5-carboxylic acid
CID 116858205
4-bromo-3-[4-(2-methylpropyl)phenyl]-1H-pyrazole-5-carboxylic acid
CID 116858174
5-chloro-4-(2-chlorophenyl)pyrimidine-2-carboxylic acid
CID 156842574

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-(2-chlorophenyl)-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 4-bromo-3-(2-chlorophenyl)-1H-pyrazole-5-carboxylic acid (CID 50877116) is 4-bromo-3-(2-chlorophenyl)-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 4-bromo-3-(2-chlorophenyl)-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 4-bromo-3-(2-chlorophenyl)-1H-pyrazole-5-carboxylic acid is O=C(O)c1[nH]nc(-c2ccccc2Cl)c1Br.
What is the InChIKey of 4-bromo-3-(2-chlorophenyl)-1H-pyrazole-5-carboxylic acid?
The InChIKey is CPCHEKRUYGLQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrClN2O2/c11-7-8(13-14-9(7)10(15)16)5-3-1-2-4-6(5)12/h1-4H,(H,13,14)(H,15,16).
What are the key properties of 4-bromo-3-(2-chlorophenyl)-1H-pyrazole-5-carboxylic acid?
4-bromo-3-(2-chlorophenyl)-1H-pyrazole-5-carboxylic acid has a molecular weight of 301.53 g/mol, XLogP of 3.19, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-(2-chlorophenyl)-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 50877116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).