1,4-dimethyl-5-(2-methylpropyl)pyrazole-3-carboxylic acid

C10H16N2O2 — CID 105450095

IUPAC1,4-dimethyl-5-(2-methylpropyl)pyrazole-3-carboxylic acid
SMILESCc1c(C(=O)O)nn(C)c1CC(C)C
InChIInChI=1S/C10H16N2O2/c1-6(2)5-8-7(3)9(10(13)14)11-12(8)4/h6H,5H2,1-4H3,(H,13,14)
InChIKeyIIIUHVOATKPYPH-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.63
Rot. Bonds3

About 1,4-dimethyl-5-(2-methylpropyl)pyrazole-3-carboxylic acid

1,4-dimethyl-5-(2-methylpropyl)pyrazole-3-carboxylic acid (PubChem CID 105450095) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 1,4-dimethyl-5-(2-methylpropyl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1,4-dimethyl-5-(2-methylpropyl)pyrazole-3-carboxylic acid
PubChem CID105450095
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name1,4-dimethyl-5-(2-methylpropyl)pyrazole-3-carboxylic acid
SMILESCc1c(C(=O)O)nn(C)c1CC(C)C
InChIInChI=1S/C10H16N2O2/c1-6(2)5-8-7(3)9(10(13)14)11-12(8)4/h6H,5H2,1-4H3,(H,13,14)
InChIKeyIIIUHVOATKPYPH-UHFFFAOYSA-N
XLogP1.63
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;5-ethyl-1,4-dimethylpyrazole-3-carboxylic acid
CID 170618736
1,4-dimethyl-5-(2-methylpropanoylamino)pyrazole-3-carboxylic acid
CID 102533846
4-bromo-5-(hydroxymethyl)-1-methylpyrazole-3-carboxylic acid
CID 171366923
5-ethyl-4-iodo-1-methylpyrazole-3-carboxylic acid
CID 62268895
1-(2-ethoxyethyl)-5-(2-methylpropyl)triazole-4-carboxylic acid
CID 102645594
2-methyl-3-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 83911752
1-(carboxymethyl)-5-(2-methylpropyl)triazole-4-carboxylic acid
CID 82202252
5-cyclopropyl-1,4-dimethylpyrazole-3-carboxylic acid
CID 105438703
1,5-dimethylpyrazole-3,4-dicarboxylic acid
CID 10559376
1-(2-butoxyethyl)-5-(2-methylpropyl)triazole-4-carboxylic acid
CID 102645500
1,4-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazole-3-carboxylic acid
CID 154037045
1-[3-(dimethylamino)propyl]-5-(2-methylpropyl)triazole-4-carboxylic acid
CID 102645517

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-5-(2-methylpropyl)pyrazole-3-carboxylic acid?
The IUPAC name of 1,4-dimethyl-5-(2-methylpropyl)pyrazole-3-carboxylic acid (CID 105450095) is 1,4-dimethyl-5-(2-methylpropyl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 1,4-dimethyl-5-(2-methylpropyl)pyrazole-3-carboxylic acid?
The canonical SMILES for 1,4-dimethyl-5-(2-methylpropyl)pyrazole-3-carboxylic acid is Cc1c(C(=O)O)nn(C)c1CC(C)C.
What is the InChIKey of 1,4-dimethyl-5-(2-methylpropyl)pyrazole-3-carboxylic acid?
The InChIKey is IIIUHVOATKPYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-6(2)5-8-7(3)9(10(13)14)11-12(8)4/h6H,5H2,1-4H3,(H,13,14).
What are the key properties of 1,4-dimethyl-5-(2-methylpropyl)pyrazole-3-carboxylic acid?
1,4-dimethyl-5-(2-methylpropyl)pyrazole-3-carboxylic acid has a molecular weight of 196.25 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-5-(2-methylpropyl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 105450095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).