1-(2-ethylphenyl)-4-(3-hydroxypropyl)pyrazole-3-carboxylic acid

C15H18N2O3 — CID 43318004

IUPAC1-(2-ethylphenyl)-4-(3-hydroxypropyl)pyrazole-3-carboxylic acid
SMILESCCc1ccccc1-n1cc(CCCO)c(C(=O)O)n1
InChIInChI=1S/C15H18N2O3/c1-2-11-6-3-4-8-13(11)17-10-12(7-5-9-18)14(16-17)15(19)20/h3-4,6,8,10,18H,2,5,7,9H2,1H3,(H,19,20)
InChIKeyKBLLBLWDPAOABV-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.06
Rot. Bonds6

About 1-(2-ethylphenyl)-4-(3-hydroxypropyl)pyrazole-3-carboxylic acid

1-(2-ethylphenyl)-4-(3-hydroxypropyl)pyrazole-3-carboxylic acid (PubChem CID 43318004) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-(2-ethylphenyl)-4-(3-hydroxypropyl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-ethylphenyl)-4-(3-hydroxypropyl)pyrazole-3-carboxylic acid
PubChem CID43318004
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name1-(2-ethylphenyl)-4-(3-hydroxypropyl)pyrazole-3-carboxylic acid
SMILESCCc1ccccc1-n1cc(CCCO)c(C(=O)O)n1
InChIInChI=1S/C15H18N2O3/c1-2-11-6-3-4-8-13(11)17-10-12(7-5-9-18)14(16-17)15(19)20/h3-4,6,8,10,18H,2,5,7,9H2,1H3,(H,19,20)
InChIKeyKBLLBLWDPAOABV-UHFFFAOYSA-N
XLogP2.06
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-hydroxyethyl)-1-(2-methylsulfanylphenyl)pyrazole-3-carboxylic acid
CID 43318061
1-(2-ethylphenyl)-4-formylpyrazole-3-carboxylic acid
CID 82130337
4-butyl-1-(2-chloro-3-phenylphenyl)pyrazole-3-carboxylic acid
CID 174501647
4-(2-hydroxyethyl)-1-naphthalen-1-ylpyrazole-3-carboxylic acid
CID 43318037
1-(2-ethylphenyl)-4-oxopyridazine-3-carboxylic acid
CID 63951805
1-(2-bromo-4-fluorophenyl)-4-(3-hydroxypropyl)pyrazole-3-carboxylic acid
CID 43318068
1-(2-chlorophenyl)-4-(hydroxymethyl)pyrazole-3-carboxylic acid
CID 82131774
1-(3-ethylphenyl)-4-(2-hydroxyethyl)pyrazole-3-carboxylic acid
CID 43318058
4-(2-hydroxyethyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrazole-3-carboxylic acid
CID 43318002
1-(2-bromo-4-methylphenyl)-4-(2-hydroxyethyl)pyrazole-3-carboxylic acid
CID 43363510
[1-(2-ethylphenyl)-4-hydroxypyrazol-3-yl]-piperidin-1-ylmethanone
CID 118741514
2-ethyl-3-(3-hydroxypropyl)benzoic acid
CID 54146728

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylphenyl)-4-(3-hydroxypropyl)pyrazole-3-carboxylic acid?
The IUPAC name of 1-(2-ethylphenyl)-4-(3-hydroxypropyl)pyrazole-3-carboxylic acid (CID 43318004) is 1-(2-ethylphenyl)-4-(3-hydroxypropyl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-(2-ethylphenyl)-4-(3-hydroxypropyl)pyrazole-3-carboxylic acid?
The canonical SMILES for 1-(2-ethylphenyl)-4-(3-hydroxypropyl)pyrazole-3-carboxylic acid is CCc1ccccc1-n1cc(CCCO)c(C(=O)O)n1.
What is the InChIKey of 1-(2-ethylphenyl)-4-(3-hydroxypropyl)pyrazole-3-carboxylic acid?
The InChIKey is KBLLBLWDPAOABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-2-11-6-3-4-8-13(11)17-10-12(7-5-9-18)14(16-17)15(19)20/h3-4,6,8,10,18H,2,5,7,9H2,1H3,(H,19,20).
What are the key properties of 1-(2-ethylphenyl)-4-(3-hydroxypropyl)pyrazole-3-carboxylic acid?
1-(2-ethylphenyl)-4-(3-hydroxypropyl)pyrazole-3-carboxylic acid has a molecular weight of 274.32 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylphenyl)-4-(3-hydroxypropyl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 43318004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).