5-(2-bromo-4-chlorophenyl)-3,4-dihydropyrazole-2-carboxylic acid

C10H8BrClN2O2 — CID 135205788

IUPAC5-(2-bromo-4-chlorophenyl)-3,4-dihydropyrazole-2-carboxylic acid
SMILESO=C(O)N1CCC(c2ccc(Cl)cc2Br)=N1
InChIInChI=1S/C10H8BrClN2O2/c11-8-5-6(12)1-2-7(8)9-3-4-14(13-9)10(15)16/h1-2,5H,3-4H2,(H,15,16)
InChIKeyXZRUUYXNVJNIOX-UHFFFAOYSA-N
MW303.54 g/mol
LogP3.19
Rot. Bonds1

About 5-(2-bromo-4-chlorophenyl)-3,4-dihydropyrazole-2-carboxylic acid

5-(2-bromo-4-chlorophenyl)-3,4-dihydropyrazole-2-carboxylic acid (PubChem CID 135205788) has the molecular formula C10H8BrClN2O2 and a molecular weight of 303.54 g/mol. Its IUPAC name is 5-(2-bromo-4-chlorophenyl)-3,4-dihydropyrazole-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-bromo-4-chlorophenyl)-3,4-dihydropyrazole-2-carboxylic acid
PubChem CID135205788
Molecular FormulaC10H8BrClN2O2
Molecular Weight303.54 g/mol
Exact Mass301.95
IUPAC Name5-(2-bromo-4-chlorophenyl)-3,4-dihydropyrazole-2-carboxylic acid
SMILESO=C(O)N1CCC(c2ccc(Cl)cc2Br)=N1
InChIInChI=1S/C10H8BrClN2O2/c11-8-5-6(12)1-2-7(8)9-3-4-14(13-9)10(15)16/h1-2,5H,3-4H2,(H,15,16)
InChIKeyXZRUUYXNVJNIOX-UHFFFAOYSA-N
XLogP3.19
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.54
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-5-(2-bromo-4-chlorophenyl)thiophene-2-carboxylic acid
CID 107989286
5-(2-bromo-4-chlorophenyl)-1,2-oxazole-3-carboxylic acid
CID 117487454
1-[5-(2-bromo-4-chlorophenyl)tetrazol-1-yl]cyclobutane-1-carboxylic acid
CID 107995331
2-(2,5-dichlorophenoxy)-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone
CID 7531928
2-bromo-4-(2,4-dichlorophenyl)-1,3-thiazole-5-carboxylic acid
CID 58094854
5-(4-chlorophenyl)-N-(3-methoxy-4-phenylphenyl)-3,4-dihydropyrazole-2-carboxamide
CID 134087440
3-[1-(2-bromo-4-chlorobenzoyl)piperidin-4-yl]propanoic acid
CID 107986609
2-[[5-(2-bromo-4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 114024661
N-(2-bromo-4-chlorophenyl)piperidine-1-carboxamide
CID 81272029
(2-bromo-4-chlorophenyl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 103852172
2-(azetidin-1-yl)-5-chlorobenzoic acid
CID 127018592
methyl 5-acetyl-2-(2-bromo-4-chlorophenyl)-1,3-thiazole-4-carboxylate
CID 106696025

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromo-4-chlorophenyl)-3,4-dihydropyrazole-2-carboxylic acid?
The IUPAC name of 5-(2-bromo-4-chlorophenyl)-3,4-dihydropyrazole-2-carboxylic acid (CID 135205788) is 5-(2-bromo-4-chlorophenyl)-3,4-dihydropyrazole-2-carboxylic acid.
What is the SMILES notation for 5-(2-bromo-4-chlorophenyl)-3,4-dihydropyrazole-2-carboxylic acid?
The canonical SMILES for 5-(2-bromo-4-chlorophenyl)-3,4-dihydropyrazole-2-carboxylic acid is O=C(O)N1CCC(c2ccc(Cl)cc2Br)=N1.
What is the InChIKey of 5-(2-bromo-4-chlorophenyl)-3,4-dihydropyrazole-2-carboxylic acid?
The InChIKey is XZRUUYXNVJNIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClN2O2/c11-8-5-6(12)1-2-7(8)9-3-4-14(13-9)10(15)16/h1-2,5H,3-4H2,(H,15,16).
What are the key properties of 5-(2-bromo-4-chlorophenyl)-3,4-dihydropyrazole-2-carboxylic acid?
5-(2-bromo-4-chlorophenyl)-3,4-dihydropyrazole-2-carboxylic acid has a molecular weight of 303.54 g/mol, XLogP of 3.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromo-4-chlorophenyl)-3,4-dihydropyrazole-2-carboxylic acid is sourced from PubChem (CID 135205788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).