2-(3-cyanophenyl)-4,5-diethylpyrazole-3-carboxylic acid

C15H15N3O2 — CID 19361826

IUPAC2-(3-cyanophenyl)-4,5-diethylpyrazole-3-carboxylic acid
SMILESCCc1nn(-c2cccc(C#N)c2)c(C(=O)O)c1CC
InChIInChI=1S/C15H15N3O2/c1-3-12-13(4-2)17-18(14(12)15(19)20)11-7-5-6-10(8-11)9-16/h5-8H,3-4H2,1-2H3,(H,19,20)
InChIKeyUYTKELQZUWNQGJ-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.57
Rot. Bonds4

About 2-(3-cyanophenyl)-4,5-diethylpyrazole-3-carboxylic acid

2-(3-cyanophenyl)-4,5-diethylpyrazole-3-carboxylic acid (PubChem CID 19361826) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-(3-cyanophenyl)-4,5-diethylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name2-(3-cyanophenyl)-4,5-diethylpyrazole-3-carboxylic acid
PubChem CID19361826
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name2-(3-cyanophenyl)-4,5-diethylpyrazole-3-carboxylic acid
SMILESCCc1nn(-c2cccc(C#N)c2)c(C(=O)O)c1CC
InChIInChI=1S/C15H15N3O2/c1-3-12-13(4-2)17-18(14(12)15(19)20)11-7-5-6-10(8-11)9-16/h5-8H,3-4H2,1-2H3,(H,19,20)
InChIKeyUYTKELQZUWNQGJ-UHFFFAOYSA-N
XLogP2.57
TPSA78.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-cyanophenyl)-5-methylpyrazole-3-carboxylic acid
CID 10846907
5-chloro-1-(3-cyanophenyl)-3-(methoxymethyl)pyrazole-4-carboxylic acid
CID 62320654
1-(3-cyanophenyl)-4-methoxy-3-(trifluoromethyl)pyrazole-5-carboxylic acid
CID 18549577
3-[1-(3-cyanophenyl)-3,5-dimethylpyrazol-4-yl]propanoic acid
CID 43542930
ethyl 1-(3-cyanophenyl)-3-ethylpyrazole-5-carboxylate
CID 86201443
3-[1-(3-cyanophenyl)-3,5-dimethylpyrazol-4-yl]-2-methylpropanoic acid
CID 65296368
1-(3-cyanophenyl)imidazole-4-carboxylic acid
CID 69379074
2-[3-(3-cyanophenyl)triazol-4-yl]acetic acid
CID 43671541
1-(3-cyanophenyl)-5-cyclopropylpyrazole-4-carboxylic acid
CID 43542935
3-(5-chloro-4-nitro-3-propylpyrazol-1-yl)benzonitrile
CID 66021591
2-[[4-(3-cyanophenyl)-5-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 29075333
1-(3-cyanophenyl)pyrrole-2-carboxylic acid
CID 10488716

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyanophenyl)-4,5-diethylpyrazole-3-carboxylic acid?
The IUPAC name of 2-(3-cyanophenyl)-4,5-diethylpyrazole-3-carboxylic acid (CID 19361826) is 2-(3-cyanophenyl)-4,5-diethylpyrazole-3-carboxylic acid.
What is the SMILES notation for 2-(3-cyanophenyl)-4,5-diethylpyrazole-3-carboxylic acid?
The canonical SMILES for 2-(3-cyanophenyl)-4,5-diethylpyrazole-3-carboxylic acid is CCc1nn(-c2cccc(C#N)c2)c(C(=O)O)c1CC.
What is the InChIKey of 2-(3-cyanophenyl)-4,5-diethylpyrazole-3-carboxylic acid?
The InChIKey is UYTKELQZUWNQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-3-12-13(4-2)17-18(14(12)15(19)20)11-7-5-6-10(8-11)9-16/h5-8H,3-4H2,1-2H3,(H,19,20).
What are the key properties of 2-(3-cyanophenyl)-4,5-diethylpyrazole-3-carboxylic acid?
2-(3-cyanophenyl)-4,5-diethylpyrazole-3-carboxylic acid has a molecular weight of 269.30 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyanophenyl)-4,5-diethylpyrazole-3-carboxylic acid is sourced from PubChem (CID 19361826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).