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

C14H16N2O3 — CID 43318058

IUPAC1-(3-ethylphenyl)-4-(2-hydroxyethyl)pyrazole-3-carboxylic acid
SMILESCCc1cccc(-n2cc(CCO)c(C(=O)O)n2)c1
InChIInChI=1S/C14H16N2O3/c1-2-10-4-3-5-12(8-10)16-9-11(6-7-17)13(15-16)14(18)19/h3-5,8-9,17H,2,6-7H2,1H3,(H,18,19)
InChIKeyWGAVFLUQCKIVQG-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.67
Rot. Bonds5

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

1-(3-ethylphenyl)-4-(2-hydroxyethyl)pyrazole-3-carboxylic acid (PubChem CID 43318058) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 1-(3-ethylphenyl)-4-(2-hydroxyethyl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-ethylphenyl)-4-(2-hydroxyethyl)pyrazole-3-carboxylic acid
PubChem CID43318058
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name1-(3-ethylphenyl)-4-(2-hydroxyethyl)pyrazole-3-carboxylic acid
SMILESCCc1cccc(-n2cc(CCO)c(C(=O)O)n2)c1
InChIInChI=1S/C14H16N2O3/c1-2-10-4-3-5-12(8-10)16-9-11(6-7-17)13(15-16)14(18)19/h3-5,8-9,17H,2,6-7H2,1H3,(H,18,19)
InChIKeyWGAVFLUQCKIVQG-UHFFFAOYSA-N
XLogP1.67
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-hydroxyethyl)-1-(3-methylsulfanylphenyl)pyrazole-3-carboxylic acid
CID 43135272
1-(3-bromo-4-methylphenyl)-4-(2-hydroxyethyl)pyrazole-3-carboxylic acid
CID 63333756
4-(2-hydroxyethyl)-1-(1-methylpyrazol-4-yl)pyrazole-3-carboxylic acid
CID 79779719
1-(1-benzothiophen-5-yl)-4-(2-hydroxyethyl)pyrazole-3-carboxylic acid
CID 65474128
4-(2-hydroxyethyl)-1-naphthalen-1-ylpyrazole-3-carboxylic acid
CID 43318037
1-(2-ethylphenyl)-4-(3-hydroxypropyl)pyrazole-3-carboxylic acid
CID 43318004
1-(3-chloro-4-nitrophenyl)-4-(2-hydroxyethyl)pyrazole-3-carboxylic acid
CID 82865897
4-(2-hydroxyethyl)-1-(2-methylsulfanylphenyl)pyrazole-3-carboxylic acid
CID 43318061
1-(2-bromo-4-methylphenyl)-4-(2-hydroxyethyl)pyrazole-3-carboxylic acid
CID 43363510
2-[1-(3-chlorophenyl)-3-methylpyrazol-4-yl]ethanol
CID 116817765
4-(2-hydroxyethyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrazole-3-carboxylic acid
CID 43318002
bromo 4-ethyl-1-phenylpyrazole-3-carboxylate
CID 91569504

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylphenyl)-4-(2-hydroxyethyl)pyrazole-3-carboxylic acid?
The IUPAC name of 1-(3-ethylphenyl)-4-(2-hydroxyethyl)pyrazole-3-carboxylic acid (CID 43318058) is 1-(3-ethylphenyl)-4-(2-hydroxyethyl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-(3-ethylphenyl)-4-(2-hydroxyethyl)pyrazole-3-carboxylic acid?
The canonical SMILES for 1-(3-ethylphenyl)-4-(2-hydroxyethyl)pyrazole-3-carboxylic acid is CCc1cccc(-n2cc(CCO)c(C(=O)O)n2)c1.
What is the InChIKey of 1-(3-ethylphenyl)-4-(2-hydroxyethyl)pyrazole-3-carboxylic acid?
The InChIKey is WGAVFLUQCKIVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-2-10-4-3-5-12(8-10)16-9-11(6-7-17)13(15-16)14(18)19/h3-5,8-9,17H,2,6-7H2,1H3,(H,18,19).
What are the key properties of 1-(3-ethylphenyl)-4-(2-hydroxyethyl)pyrazole-3-carboxylic acid?
1-(3-ethylphenyl)-4-(2-hydroxyethyl)pyrazole-3-carboxylic acid has a molecular weight of 260.29 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylphenyl)-4-(2-hydroxyethyl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 43318058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).