1-(2-cyanophenyl)-5-(2-methylpropyl)pyrazole-4-carboxylic acid

C15H15N3O2 — CID 82361413

IUPAC1-(2-cyanophenyl)-5-(2-methylpropyl)pyrazole-4-carboxylic acid
SMILESCC(C)Cc1c(C(=O)O)cnn1-c1ccccc1C#N
InChIInChI=1S/C15H15N3O2/c1-10(2)7-14-12(15(19)20)9-17-18(14)13-6-4-3-5-11(13)8-16/h3-6,9-10H,7H2,1-2H3,(H,19,20)
InChIKeyYWRGKPZXNNJXKK-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.64
Rot. Bonds4

About 1-(2-cyanophenyl)-5-(2-methylpropyl)pyrazole-4-carboxylic acid

1-(2-cyanophenyl)-5-(2-methylpropyl)pyrazole-4-carboxylic acid (PubChem CID 82361413) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 1-(2-cyanophenyl)-5-(2-methylpropyl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-cyanophenyl)-5-(2-methylpropyl)pyrazole-4-carboxylic acid
PubChem CID82361413
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name1-(2-cyanophenyl)-5-(2-methylpropyl)pyrazole-4-carboxylic acid
SMILESCC(C)Cc1c(C(=O)O)cnn1-c1ccccc1C#N
InChIInChI=1S/C15H15N3O2/c1-10(2)7-14-12(15(19)20)9-17-18(14)13-6-4-3-5-11(13)8-16/h3-6,9-10H,7H2,1-2H3,(H,19,20)
InChIKeyYWRGKPZXNNJXKK-UHFFFAOYSA-N
XLogP2.64
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 ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-hydroxyphenyl)-5-(2-methylpropyl)pyrazole-4-carboxylic acid
CID 82361421
1-(2,5-dimethylphenyl)-5-(2-methylpropyl)pyrazole-4-carboxylic acid
CID 82361395
5-ethyl-1-(2-propan-2-ylphenyl)pyrazole-4-carboxylic acid
CID 82361158
1-(2-hydroxyphenyl)-5-propylpyrazole-4-carboxylic acid
CID 82361204
5-ethyl-1-(2-methoxycarbonylphenyl)pyrazole-4-carboxylic acid
CID 82361151
5-(chloromethyl)-1-(2-fluorophenyl)pyrazole-4-carboxylic acid
CID 164580458
5-tert-butyl-1-(2-carboxyphenyl)pyrazole-4-carboxylic acid
CID 82361330
1-(2-cyanophenyl)pyrazole-4-carboxylic acid
CID 53415450
N-(diaminomethylidene)-5-(2-methylpropyl)-1-quinolin-5-ylpyrazole-4-carboxamide
CID 22267835
5-methyl-1-(2-propan-2-ylphenyl)pyrazole-4-carboxylic acid
CID 82085458
1-(2-ethoxyphenyl)-5-propan-2-ylpyrazole-4-carboxylic acid
CID 82361271
2-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl]benzonitrile
CID 56741221

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyanophenyl)-5-(2-methylpropyl)pyrazole-4-carboxylic acid?
The IUPAC name of 1-(2-cyanophenyl)-5-(2-methylpropyl)pyrazole-4-carboxylic acid (CID 82361413) is 1-(2-cyanophenyl)-5-(2-methylpropyl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-(2-cyanophenyl)-5-(2-methylpropyl)pyrazole-4-carboxylic acid?
The canonical SMILES for 1-(2-cyanophenyl)-5-(2-methylpropyl)pyrazole-4-carboxylic acid is CC(C)Cc1c(C(=O)O)cnn1-c1ccccc1C#N.
What is the InChIKey of 1-(2-cyanophenyl)-5-(2-methylpropyl)pyrazole-4-carboxylic acid?
The InChIKey is YWRGKPZXNNJXKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-10(2)7-14-12(15(19)20)9-17-18(14)13-6-4-3-5-11(13)8-16/h3-6,9-10H,7H2,1-2H3,(H,19,20).
What are the key properties of 1-(2-cyanophenyl)-5-(2-methylpropyl)pyrazole-4-carboxylic acid?
1-(2-cyanophenyl)-5-(2-methylpropyl)pyrazole-4-carboxylic acid has a molecular weight of 269.30 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyanophenyl)-5-(2-methylpropyl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 82361413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).