1-(2-hydroxy-4-methylphenyl)-5-propylpyrazole-4-carboxylic acid

C14H16N2O3 — CID 82361192

IUPAC1-(2-hydroxy-4-methylphenyl)-5-propylpyrazole-4-carboxylic acid
SMILESCCCc1c(C(=O)O)cnn1-c1ccc(C)cc1O
InChIInChI=1S/C14H16N2O3/c1-3-4-11-10(14(18)19)8-15-16(11)12-6-5-9(2)7-13(12)17/h5-8,17H,3-4H2,1-2H3,(H,18,19)
InChIKeyKFCBLBARFYBXIF-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.54
Rot. Bonds4

About 1-(2-hydroxy-4-methylphenyl)-5-propylpyrazole-4-carboxylic acid

1-(2-hydroxy-4-methylphenyl)-5-propylpyrazole-4-carboxylic acid (PubChem CID 82361192) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 1-(2-hydroxy-4-methylphenyl)-5-propylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-hydroxy-4-methylphenyl)-5-propylpyrazole-4-carboxylic acid
PubChem CID82361192
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name1-(2-hydroxy-4-methylphenyl)-5-propylpyrazole-4-carboxylic acid
SMILESCCCc1c(C(=O)O)cnn1-c1ccc(C)cc1O
InChIInChI=1S/C14H16N2O3/c1-3-4-11-10(14(18)19)8-15-16(11)12-6-5-9(2)7-13(12)17/h5-8,17H,3-4H2,1-2H3,(H,18,19)
InChIKeyKFCBLBARFYBXIF-UHFFFAOYSA-N
XLogP2.54
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 ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-hydroxyphenyl)-5-propylpyrazole-4-carboxylic acid
CID 82361204
5-amino-1-(2-hydroxy-4-methylphenyl)pyrazole-4-carboxylic acid
CID 82365343
1-(5-chloro-2-hydroxyphenyl)-5-propylpyrazole-4-carboxylic acid
CID 82361205
1-(3,4-dimethylphenyl)-5-propylpyrazole-4-carboxylic acid
CID 82361185
1-(2,5-dimethylphenyl)-5-(2-methylpropyl)pyrazole-4-carboxylic acid
CID 82361395
[1-(2,4-dimethylphenyl)-5-propylpyrazol-4-yl]methanol
CID 66436809
5-propyl-1-pyridin-2-ylpyrazole-4-carboxylic acid
CID 28606394
1-(2-hydroxyphenyl)-5-(2-methylpropyl)pyrazole-4-carboxylic acid
CID 82361421
5-butyl-1-(2,6-dimethylphenyl)pyrazole-4-carboxylic acid
CID 82361240
1-(4-hydroxy-2-methylphenyl)-5-(methoxymethyl)pyrazole-4-carboxylic acid
CID 82361555
ethyl 1-(4-methylphenyl)-5-propylpyrazole-4-carboxylate
CID 63235066
5-[(2,5-dimethylanilino)methyl]-1-methylpyrazole-4-carboxylic acid
CID 116630697

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-4-methylphenyl)-5-propylpyrazole-4-carboxylic acid?
The IUPAC name of 1-(2-hydroxy-4-methylphenyl)-5-propylpyrazole-4-carboxylic acid (CID 82361192) is 1-(2-hydroxy-4-methylphenyl)-5-propylpyrazole-4-carboxylic acid.
What is the SMILES notation for 1-(2-hydroxy-4-methylphenyl)-5-propylpyrazole-4-carboxylic acid?
The canonical SMILES for 1-(2-hydroxy-4-methylphenyl)-5-propylpyrazole-4-carboxylic acid is CCCc1c(C(=O)O)cnn1-c1ccc(C)cc1O.
What is the InChIKey of 1-(2-hydroxy-4-methylphenyl)-5-propylpyrazole-4-carboxylic acid?
The InChIKey is KFCBLBARFYBXIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-3-4-11-10(14(18)19)8-15-16(11)12-6-5-9(2)7-13(12)17/h5-8,17H,3-4H2,1-2H3,(H,18,19).
What are the key properties of 1-(2-hydroxy-4-methylphenyl)-5-propylpyrazole-4-carboxylic acid?
1-(2-hydroxy-4-methylphenyl)-5-propylpyrazole-4-carboxylic acid has a molecular weight of 260.29 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-4-methylphenyl)-5-propylpyrazole-4-carboxylic acid is sourced from PubChem (CID 82361192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).