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

C14H16N2O3 — CID 82361421

IUPAC1-(2-hydroxyphenyl)-5-(2-methylpropyl)pyrazole-4-carboxylic acid
SMILESCC(C)Cc1c(C(=O)O)cnn1-c1ccccc1O
InChIInChI=1S/C14H16N2O3/c1-9(2)7-12-10(14(18)19)8-15-16(12)11-5-3-4-6-13(11)17/h3-6,8-9,17H,7H2,1-2H3,(H,18,19)
InChIKeyFSLWKWXVDPCJCB-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.47
Rot. Bonds4

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

1-(2-hydroxyphenyl)-5-(2-methylpropyl)pyrazole-4-carboxylic acid (PubChem CID 82361421) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 1-(2-hydroxyphenyl)-5-(2-methylpropyl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-hydroxyphenyl)-5-(2-methylpropyl)pyrazole-4-carboxylic acid
PubChem CID82361421
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name1-(2-hydroxyphenyl)-5-(2-methylpropyl)pyrazole-4-carboxylic acid
SMILESCC(C)Cc1c(C(=O)O)cnn1-c1ccccc1O
InChIInChI=1S/C14H16N2O3/c1-9(2)7-12-10(14(18)19)8-15-16(12)11-5-3-4-6-13(11)17/h3-6,8-9,17H,7H2,1-2H3,(H,18,19)
InChIKeyFSLWKWXVDPCJCB-UHFFFAOYSA-N
XLogP2.47
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-cyanophenyl)-5-(2-methylpropyl)pyrazole-4-carboxylic acid
CID 82361413
1-(2-hydroxyphenyl)-5-propylpyrazole-4-carboxylic acid
CID 82361204
1-(2,5-dimethylphenyl)-5-(2-methylpropyl)pyrazole-4-carboxylic acid
CID 82361395
5-ethyl-1-(2-propan-2-ylphenyl)pyrazole-4-carboxylic acid
CID 82361158
5-ethyl-1-(2-methoxycarbonylphenyl)pyrazole-4-carboxylic acid
CID 82361151
5-(chloromethyl)-1-(2-fluorophenyl)pyrazole-4-carboxylic acid
CID 164580458
5-cyclopropyl-1-(2-hydroxyphenyl)pyrazole-4-carboxylic acid
CID 82361375
5-tert-butyl-1-(2-carboxyphenyl)pyrazole-4-carboxylic acid
CID 82361330
1-(2-hydroxy-4-methylphenyl)-5-propylpyrazole-4-carboxylic acid
CID 82361192
N-(diaminomethylidene)-5-(2-methylpropyl)-1-quinolin-5-ylpyrazole-4-carboxamide
CID 22267835
1-(5-chloro-2-hydroxyphenyl)-5-propylpyrazole-4-carboxylic acid
CID 82361205
5-methyl-1-(2-propan-2-ylphenyl)pyrazole-4-carboxylic acid
CID 82085458

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyphenyl)-5-(2-methylpropyl)pyrazole-4-carboxylic acid?
The IUPAC name of 1-(2-hydroxyphenyl)-5-(2-methylpropyl)pyrazole-4-carboxylic acid (CID 82361421) is 1-(2-hydroxyphenyl)-5-(2-methylpropyl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-(2-hydroxyphenyl)-5-(2-methylpropyl)pyrazole-4-carboxylic acid?
The canonical SMILES for 1-(2-hydroxyphenyl)-5-(2-methylpropyl)pyrazole-4-carboxylic acid is CC(C)Cc1c(C(=O)O)cnn1-c1ccccc1O.
What is the InChIKey of 1-(2-hydroxyphenyl)-5-(2-methylpropyl)pyrazole-4-carboxylic acid?
The InChIKey is FSLWKWXVDPCJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-9(2)7-12-10(14(18)19)8-15-16(12)11-5-3-4-6-13(11)17/h3-6,8-9,17H,7H2,1-2H3,(H,18,19).
What are the key properties of 1-(2-hydroxyphenyl)-5-(2-methylpropyl)pyrazole-4-carboxylic acid?
1-(2-hydroxyphenyl)-5-(2-methylpropyl)pyrazole-4-carboxylic acid has a molecular weight of 260.29 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyphenyl)-5-(2-methylpropyl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 82361421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).