1-ethyl-5-(4-ethylphenyl)pyrazole-3-carboxylic acid

C14H16N2O2 — CID 45037411

IUPAC1-ethyl-5-(4-ethylphenyl)pyrazole-3-carboxylic acid
SMILESCCc1ccc(-c2cc(C(=O)O)nn2CC)cc1
InChIInChI=1S/C14H16N2O2/c1-3-10-5-7-11(8-6-10)13-9-12(14(17)18)15-16(13)4-2/h5-9H,3-4H2,1-2H3,(H,17,18)
InChIKeyDYBRZJZZSPYPAY-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.83
Rot. Bonds4

About 1-ethyl-5-(4-ethylphenyl)pyrazole-3-carboxylic acid

1-ethyl-5-(4-ethylphenyl)pyrazole-3-carboxylic acid (PubChem CID 45037411) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 1-ethyl-5-(4-ethylphenyl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-5-(4-ethylphenyl)pyrazole-3-carboxylic acid
PubChem CID45037411
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name1-ethyl-5-(4-ethylphenyl)pyrazole-3-carboxylic acid
SMILESCCc1ccc(-c2cc(C(=O)O)nn2CC)cc1
InChIInChI=1S/C14H16N2O2/c1-3-10-5-7-11(8-6-10)13-9-12(14(17)18)15-16(13)4-2/h5-9H,3-4H2,1-2H3,(H,17,18)
InChIKeyDYBRZJZZSPYPAY-UHFFFAOYSA-N
XLogP2.83
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-bromophenyl)-1-ethylpyrazole-3-carbohydrazide
CID 91872233
1-ethyl-5-(4-fluorophenyl)pyrazole-3-carbohydrazide
CID 91871685
ethyl 5-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazole-3-carboxylate
CID 91872786
5-(5-ethyl-2-fluorophenyl)-1-methylpyrazole-3-carboxylic acid
CID 117373137
5-amino-1-(4-ethylphenyl)pyrazole-3-carboxylic acid
CID 82115800
5-(4-tert-butylphenyl)-1-ethyl-N-propan-2-ylpyrazole-3-carboxamide
CID 46104950
N-benzyl-5-(4-tert-butylphenyl)-1-ethyl-N-methylpyrazole-3-carboxamide
CID 42879111
1-[(3-chloro-4-methylphenyl)methyl]-5-(4-methoxyphenyl)pyrazole-3-carboxylic acid;hydrochloride
CID 67566503
1-ethyl-5-(4-methoxyphenyl)-N-(2-phenylethyl)pyrazole-3-carboxamide
CID 46104554
4-acetyl-2-ethyl-6-(4-ethylphenyl)pyridazin-3-one
CID 82444786
1-[[4-[(3,5-dicarboxypyrazol-1-yl)methyl]phenyl]methyl]pyrazole-3,5-dicarboxylic acid
CID 141465546
1-ethyl-5-(ethylsulfonylmethyl)pyrazole-3-carboxylic acid
CID 117217264

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-(4-ethylphenyl)pyrazole-3-carboxylic acid?
The IUPAC name of 1-ethyl-5-(4-ethylphenyl)pyrazole-3-carboxylic acid (CID 45037411) is 1-ethyl-5-(4-ethylphenyl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-ethyl-5-(4-ethylphenyl)pyrazole-3-carboxylic acid?
The canonical SMILES for 1-ethyl-5-(4-ethylphenyl)pyrazole-3-carboxylic acid is CCc1ccc(-c2cc(C(=O)O)nn2CC)cc1.
What is the InChIKey of 1-ethyl-5-(4-ethylphenyl)pyrazole-3-carboxylic acid?
The InChIKey is DYBRZJZZSPYPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-3-10-5-7-11(8-6-10)13-9-12(14(17)18)15-16(13)4-2/h5-9H,3-4H2,1-2H3,(H,17,18).
What are the key properties of 1-ethyl-5-(4-ethylphenyl)pyrazole-3-carboxylic acid?
1-ethyl-5-(4-ethylphenyl)pyrazole-3-carboxylic acid has a molecular weight of 244.29 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-(4-ethylphenyl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 45037411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).