1-(4-ethylphenyl)pyrazole-4-carboxylic acid

C12H12N2O2 — CID 82365536

IUPAC1-(4-ethylphenyl)pyrazole-4-carboxylic acid
SMILESCCc1ccc(-n2cc(C(=O)O)cn2)cc1
InChIInChI=1S/C12H12N2O2/c1-2-9-3-5-11(6-4-9)14-8-10(7-13-14)12(15)16/h3-8H,2H2,1H3,(H,15,16)
InChIKeyJDQNVOUDIVEMMF-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.13
Rot. Bonds3

About 1-(4-ethylphenyl)pyrazole-4-carboxylic acid

1-(4-ethylphenyl)pyrazole-4-carboxylic acid (PubChem CID 82365536) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 1-(4-ethylphenyl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-ethylphenyl)pyrazole-4-carboxylic acid
PubChem CID82365536
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name1-(4-ethylphenyl)pyrazole-4-carboxylic acid
SMILESCCc1ccc(-n2cc(C(=O)O)cn2)cc1
InChIInChI=1S/C12H12N2O2/c1-2-9-3-5-11(6-4-9)14-8-10(7-13-14)12(15)16/h3-8H,2H2,1H3,(H,15,16)
InChIKeyJDQNVOUDIVEMMF-UHFFFAOYSA-N
XLogP2.13
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-butylphenyl)pyrazole-4-carboxylic acid
CID 82365506
1-(4-ethoxycarbonylphenyl)pyrazole-4-carboxylic acid
CID 82365495
1-(4-bromophenyl)pyrazole-4-carboxylic acid
CID 11601417
(3-ethylphenyl)-(1-phenylpyrazol-4-yl)methanone
CID 105120280
1-[4-(1,3-dioxol-2-yl)phenyl]pyrazole-4-carboxylic acid
CID 171475014
N'-[2-(4-ethylphenoxy)acetyl]-1-phenylpyrazole-4-carbohydrazide
CID 9324440
1-(1-phenylpyrazol-4-yl)butan-1-one
CID 43161927
1-[1-(4-fluorophenyl)pyrazol-4-yl]propan-1-one
CID 171484231
(4E)-5-[1-(4-ethylphenyl)pyrazol-4-yl]-3-methylidenehexa-1,4-dien-2-amine
CID 164573421
1-(4-bromo-3-methylphenyl)pyrazole-4-carboxylic acid
CID 82489333
1-naphthalen-2-ylpyrazole-4-carboxylic acid
CID 53415770
1-[(1-phenylpyrazol-4-yl)methyl]pyrazole-4-carboxylic acid
CID 43565278

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)pyrazole-4-carboxylic acid?
The IUPAC name of 1-(4-ethylphenyl)pyrazole-4-carboxylic acid (CID 82365536) is 1-(4-ethylphenyl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-(4-ethylphenyl)pyrazole-4-carboxylic acid?
The canonical SMILES for 1-(4-ethylphenyl)pyrazole-4-carboxylic acid is CCc1ccc(-n2cc(C(=O)O)cn2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)pyrazole-4-carboxylic acid?
The InChIKey is JDQNVOUDIVEMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-2-9-3-5-11(6-4-9)14-8-10(7-13-14)12(15)16/h3-8H,2H2,1H3,(H,15,16).
What are the key properties of 1-(4-ethylphenyl)pyrazole-4-carboxylic acid?
1-(4-ethylphenyl)pyrazole-4-carboxylic acid has a molecular weight of 216.24 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 82365536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).