1-(2,4-dichlorophenyl)pyrazole-3-carboxylic acid

C10H6Cl2N2O2 — CID 14129289

IUPAC1-(2,4-dichlorophenyl)pyrazole-3-carboxylic acid
SMILESO=C(O)c1ccn(-c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C10H6Cl2N2O2/c11-6-1-2-9(7(12)5-6)14-4-3-8(13-14)10(15)16/h1-5H,(H,15,16)
InChIKeyVBPQJKXKGFYNQD-UHFFFAOYSA-N
MW257.08 g/mol
LogP2.88
Rot. Bonds2

About 1-(2,4-dichlorophenyl)pyrazole-3-carboxylic acid

1-(2,4-dichlorophenyl)pyrazole-3-carboxylic acid (PubChem CID 14129289) has the molecular formula C10H6Cl2N2O2 and a molecular weight of 257.08 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)pyrazole-3-carboxylic acid
PubChem CID14129289
Molecular FormulaC10H6Cl2N2O2
Molecular Weight257.08 g/mol
Exact Mass255.98
IUPAC Name1-(2,4-dichlorophenyl)pyrazole-3-carboxylic acid
SMILESO=C(O)c1ccn(-c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C10H6Cl2N2O2/c11-6-1-2-9(7(12)5-6)14-4-3-8(13-14)10(15)16/h1-5H,(H,15,16)
InChIKeyVBPQJKXKGFYNQD-UHFFFAOYSA-N
XLogP2.88
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.08
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Phenyl-1H-pyrazole-5-carboxylic acid
CID 237056
1-Phenyl-1H-pyrazole-3-carboxylic acid
CID 12370874
1-(3-chlorophenyl)-5-methyl-1H-pyrazole-3-carboxylic acid
CID 24271256
1-(4-chlorophenyl)-4-hydroxy-1H-pyrazole-3-carboxylic acid
CID 10610012
4-methyl-1-phenyl-1H-pyrazole-3-carboxylic acid
CID 22267974
1-(2,4-dichlorophenyl)-5-methyl-1H-pyrazole-3-carboxylic acid
CID 14516402
1-{2-[(2,6-dichlorophenyl)amino]-2-oxoethyl}-1H-pyrazole-3-carboxylic acid
CID 19502069
4-hydroxy-1-(2,4,5-trichlorophenyl)-1H-pyrazole-3-carboxylic acid
CID 43363605
1-(4-Chlorophenyl)-3-methyl-1H-pyrazole-5-carboxylic acid
CID 2769596
1-(4-Chlorophenyl)-5-methyl-1H-pyrazole-3-carboxylic acid
CID 14516394
1-(2,4-dichlorophenyl)-5-methyl-1H-pyrazole-4-carboxylic acid
CID 16770935
1-(4-fluorophenyl)-1H-pyrazole-3-carboxylic acid
CID 28974050

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)pyrazole-3-carboxylic acid?
The IUPAC name of 1-(2,4-dichlorophenyl)pyrazole-3-carboxylic acid (CID 14129289) is 1-(2,4-dichlorophenyl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-(2,4-dichlorophenyl)pyrazole-3-carboxylic acid?
The canonical SMILES for 1-(2,4-dichlorophenyl)pyrazole-3-carboxylic acid is O=C(O)c1ccn(-c2ccc(Cl)cc2Cl)n1.
What is the InChIKey of 1-(2,4-dichlorophenyl)pyrazole-3-carboxylic acid?
The InChIKey is VBPQJKXKGFYNQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2N2O2/c11-6-1-2-9(7(12)5-6)14-4-3-8(13-14)10(15)16/h1-5H,(H,15,16).
What are the key properties of 1-(2,4-dichlorophenyl)pyrazole-3-carboxylic acid?
1-(2,4-dichlorophenyl)pyrazole-3-carboxylic acid has a molecular weight of 257.08 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 14129289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).