5-cyclopropyl-1-(2-hydroxyphenyl)pyrazole-4-carboxylic acid

C13H12N2O3 — CID 82361375

IUPAC5-cyclopropyl-1-(2-hydroxyphenyl)pyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(-c2ccccc2O)c1C1CC1
InChIInChI=1S/C13H12N2O3/c16-11-4-2-1-3-10(11)15-12(8-5-6-8)9(7-14-15)13(17)18/h1-4,7-8,16H,5-6H2,(H,17,18)
InChIKeyYBXDWFIZPZWEHQ-UHFFFAOYSA-N
MW244.25 g/mol
LogP2.15
Rot. Bonds3

About 5-cyclopropyl-1-(2-hydroxyphenyl)pyrazole-4-carboxylic acid

5-cyclopropyl-1-(2-hydroxyphenyl)pyrazole-4-carboxylic acid (PubChem CID 82361375) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is 5-cyclopropyl-1-(2-hydroxyphenyl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-cyclopropyl-1-(2-hydroxyphenyl)pyrazole-4-carboxylic acid
PubChem CID82361375
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Name5-cyclopropyl-1-(2-hydroxyphenyl)pyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(-c2ccccc2O)c1C1CC1
InChIInChI=1S/C13H12N2O3/c16-11-4-2-1-3-10(11)15-12(8-5-6-8)9(7-14-15)13(17)18/h1-4,7-8,16H,5-6H2,(H,17,18)
InChIKeyYBXDWFIZPZWEHQ-UHFFFAOYSA-N
XLogP2.15
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyclohexyl-1-(2-methylphenyl)pyrazole-4-carboxylic acid
CID 82361439
5-cyclopropyl-1-pyridin-2-ylpyrazole-4-carboxylic acid
CID 28606397
5-cyclopropyl-1-(2,4-difluorophenyl)pyrazole-4-carboxylic acid
CID 28606361
2-[4-(4-aminopiperidin-1-yl)-5-cyclopropylpyrazol-1-yl]phenol
CID 117210810
[5-cyclopropyl-1-(2-methylphenyl)pyrazol-4-yl]-pyrrolidin-1-ylmethanone
CID 36993627
5-cyclopropyl-1-(3,4-dichlorophenyl)pyrazole-4-carboxylic acid
CID 28606372
[5-cyclopropyl-1-(2-methylphenyl)pyrazol-4-yl]-piperidin-1-ylmethanone
CID 36978780
1-[4-chloro-2-(fluoromethyl)phenyl]-5-cyclopropylpyrazole-4-carboxylic acid
CID 22267607
1-(2-methylphenyl)-5-(oxolan-2-yl)pyrazole-4-carboxylic acid
CID 82361459
5-cyclopropyl-1-(4-methoxyphenyl)pyrazole-4-carboxylic acid
CID 63173747
1-(2-hydroxyphenyl)-5-propylpyrazole-4-carboxylic acid
CID 82361204
1-(3-cyanophenyl)-5-cyclopropylpyrazole-4-carboxylic acid
CID 43542935

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-(2-hydroxyphenyl)pyrazole-4-carboxylic acid?
The IUPAC name of 5-cyclopropyl-1-(2-hydroxyphenyl)pyrazole-4-carboxylic acid (CID 82361375) is 5-cyclopropyl-1-(2-hydroxyphenyl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-cyclopropyl-1-(2-hydroxyphenyl)pyrazole-4-carboxylic acid?
The canonical SMILES for 5-cyclopropyl-1-(2-hydroxyphenyl)pyrazole-4-carboxylic acid is O=C(O)c1cnn(-c2ccccc2O)c1C1CC1.
What is the InChIKey of 5-cyclopropyl-1-(2-hydroxyphenyl)pyrazole-4-carboxylic acid?
The InChIKey is YBXDWFIZPZWEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c16-11-4-2-1-3-10(11)15-12(8-5-6-8)9(7-14-15)13(17)18/h1-4,7-8,16H,5-6H2,(H,17,18).
What are the key properties of 5-cyclopropyl-1-(2-hydroxyphenyl)pyrazole-4-carboxylic acid?
5-cyclopropyl-1-(2-hydroxyphenyl)pyrazole-4-carboxylic acid has a molecular weight of 244.25 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-(2-hydroxyphenyl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 82361375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).