5-(2-hydroxyethyl)-3-methyl-1-phenylpyrazole-4-carboxylic acid

C13H14N2O3 — CID 12826132

IUPAC5-(2-hydroxyethyl)-3-methyl-1-phenylpyrazole-4-carboxylic acid
SMILESCc1nn(-c2ccccc2)c(CCO)c1C(=O)O
InChIInChI=1S/C13H14N2O3/c1-9-12(13(17)18)11(7-8-16)15(14-9)10-5-3-2-4-6-10/h2-6,16H,7-8H2,1H3,(H,17,18)
InChIKeyHHOZAKHLSLBLCY-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.41
Rot. Bonds4

About 5-(2-hydroxyethyl)-3-methyl-1-phenylpyrazole-4-carboxylic acid

5-(2-hydroxyethyl)-3-methyl-1-phenylpyrazole-4-carboxylic acid (PubChem CID 12826132) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 5-(2-hydroxyethyl)-3-methyl-1-phenylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(2-hydroxyethyl)-3-methyl-1-phenylpyrazole-4-carboxylic acid
PubChem CID12826132
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name5-(2-hydroxyethyl)-3-methyl-1-phenylpyrazole-4-carboxylic acid
SMILESCc1nn(-c2ccccc2)c(CCO)c1C(=O)O
InChIInChI=1S/C13H14N2O3/c1-9-12(13(17)18)11(7-8-16)15(14-9)10-5-3-2-4-6-10/h2-6,16H,7-8H2,1H3,(H,17,18)
InChIKeyHHOZAKHLSLBLCY-UHFFFAOYSA-N
XLogP1.41
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-fluorophenyl)-1-phenyl-5-propylpyrazole-4-carboxylic acid
CID 3796959
5-ethyl-3-methyl-1-pyridin-3-ylpyrazole-4-carboxylic acid
CID 67119556
[3,5-bis(5-hydroxy-3-methyl-1-phenylpyrazole-4-carbonyl)phenyl]-(5-hydroxy-3-methyl-1-phenylpyrazol-4-yl)methanone
CID 136797774
5-ethyl-3-methyl-N,1-diphenylpyrazole-4-carboxamide
CID 163806603
2-(5-methoxy-3-methyl-1-phenylpyrazol-4-yl)ethanol
CID 117123475
5-[butyl(methyl)amino]-3-methyl-1-phenylpyrazole-4-carboxylic acid
CID 28952087
5-fluoro-3-methyl-1-phenylpyrazole-4-carboxamide
CID 121222038
5-methyl-1,3-diphenylpyrazole-4-carboxylic acid
CID 673680
4-(2-chloroacetyl)-3-methyl-1-phenylpyrazole-5-carbaldehyde
CID 174367620
N-cyclopropyl-5-ethyl-3-methyl-1-phenylpyrazole-4-carboxamide
CID 42818280
copper bis(3-methyl-1-phenyl-4-propanoylpyrazol-5-olate)
CID 6515106
4-amino-3-methyl-1-phenylpyrazole-5-carboxylic acid
CID 82393477

Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxyethyl)-3-methyl-1-phenylpyrazole-4-carboxylic acid?
The IUPAC name of 5-(2-hydroxyethyl)-3-methyl-1-phenylpyrazole-4-carboxylic acid (CID 12826132) is 5-(2-hydroxyethyl)-3-methyl-1-phenylpyrazole-4-carboxylic acid.
What is the SMILES notation for 5-(2-hydroxyethyl)-3-methyl-1-phenylpyrazole-4-carboxylic acid?
The canonical SMILES for 5-(2-hydroxyethyl)-3-methyl-1-phenylpyrazole-4-carboxylic acid is Cc1nn(-c2ccccc2)c(CCO)c1C(=O)O.
What is the InChIKey of 5-(2-hydroxyethyl)-3-methyl-1-phenylpyrazole-4-carboxylic acid?
The InChIKey is HHOZAKHLSLBLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-9-12(13(17)18)11(7-8-16)15(14-9)10-5-3-2-4-6-10/h2-6,16H,7-8H2,1H3,(H,17,18).
What are the key properties of 5-(2-hydroxyethyl)-3-methyl-1-phenylpyrazole-4-carboxylic acid?
5-(2-hydroxyethyl)-3-methyl-1-phenylpyrazole-4-carboxylic acid has a molecular weight of 246.27 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxyethyl)-3-methyl-1-phenylpyrazole-4-carboxylic acid is sourced from PubChem (CID 12826132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).