1-(4-chlorophenyl)-4-hydroxypyrazole-3-carboxylic acid

C10H7ClN2O3 — CID 10610012

IUPAC1-(4-chlorophenyl)-4-hydroxypyrazole-3-carboxylic acid
SMILESO=C(O)c1nn(-c2ccc(Cl)cc2)cc1O
InChIInChI=1S/C10H7ClN2O3/c11-6-1-3-7(4-2-6)13-5-8(14)9(12-13)10(15)16/h1-5,14H,(H,15,16)
InChIKeyMFQVFEHBGPWURG-UHFFFAOYSA-N
MW238.63 g/mol
LogP1.93
Rot. Bonds2

About 1-(4-chlorophenyl)-4-hydroxypyrazole-3-carboxylic acid

1-(4-chlorophenyl)-4-hydroxypyrazole-3-carboxylic acid (PubChem CID 10610012) has the molecular formula C10H7ClN2O3 and a molecular weight of 238.63 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-hydroxypyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-hydroxypyrazole-3-carboxylic acid
PubChem CID10610012
Molecular FormulaC10H7ClN2O3
Molecular Weight238.63 g/mol
Exact Mass238.01
IUPAC Name1-(4-chlorophenyl)-4-hydroxypyrazole-3-carboxylic acid
SMILESO=C(O)c1nn(-c2ccc(Cl)cc2)cc1O
InChIInChI=1S/C10H7ClN2O3/c11-6-1-3-7(4-2-6)13-5-8(14)9(12-13)10(15)16/h1-5,14H,(H,15,16)
InChIKeyMFQVFEHBGPWURG-UHFFFAOYSA-N
XLogP1.93
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.63
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4-hydroxypyrazole-3-carboxylic acid?
The IUPAC name of 1-(4-chlorophenyl)-4-hydroxypyrazole-3-carboxylic acid (CID 10610012) is 1-(4-chlorophenyl)-4-hydroxypyrazole-3-carboxylic acid.
What is the SMILES notation for 1-(4-chlorophenyl)-4-hydroxypyrazole-3-carboxylic acid?
The canonical SMILES for 1-(4-chlorophenyl)-4-hydroxypyrazole-3-carboxylic acid is O=C(O)c1nn(-c2ccc(Cl)cc2)cc1O.
What is the InChIKey of 1-(4-chlorophenyl)-4-hydroxypyrazole-3-carboxylic acid?
The InChIKey is MFQVFEHBGPWURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O3/c11-6-1-3-7(4-2-6)13-5-8(14)9(12-13)10(15)16/h1-5,14H,(H,15,16).
What are the key properties of 1-(4-chlorophenyl)-4-hydroxypyrazole-3-carboxylic acid?
1-(4-chlorophenyl)-4-hydroxypyrazole-3-carboxylic acid has a molecular weight of 238.63 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4-hydroxypyrazole-3-carboxylic acid is sourced from PubChem (CID 10610012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).