1-ethyl-4-methyl-5-(2-methylpropyl)pyrazole-3-carboxylic acid

C11H18N2O2 — CID 67143338

IUPAC1-ethyl-4-methyl-5-(2-methylpropyl)pyrazole-3-carboxylic acid
SMILESCCn1nc(C(=O)O)c(C)c1CC(C)C
InChIInChI=1S/C11H18N2O2/c1-5-13-9(6-7(2)3)8(4)10(12-13)11(14)15/h7H,5-6H2,1-4H3,(H,14,15)
InChIKeyVZYAXFRJSCCOIN-UHFFFAOYSA-N
MW210.28 g/mol
LogP2.11
Rot. Bonds4

About 1-ethyl-4-methyl-5-(2-methylpropyl)pyrazole-3-carboxylic acid

1-ethyl-4-methyl-5-(2-methylpropyl)pyrazole-3-carboxylic acid (PubChem CID 67143338) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-ethyl-4-methyl-5-(2-methylpropyl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-4-methyl-5-(2-methylpropyl)pyrazole-3-carboxylic acid
PubChem CID67143338
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name1-ethyl-4-methyl-5-(2-methylpropyl)pyrazole-3-carboxylic acid
SMILESCCn1nc(C(=O)O)c(C)c1CC(C)C
InChIInChI=1S/C11H18N2O2/c1-5-13-9(6-7(2)3)8(4)10(12-13)11(14)15/h7H,5-6H2,1-4H3,(H,14,15)
InChIKeyVZYAXFRJSCCOIN-UHFFFAOYSA-N
XLogP2.11
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-methyl-5-(2-methylpropyl)pyrazole-3-carboxylic acid?
The IUPAC name of 1-ethyl-4-methyl-5-(2-methylpropyl)pyrazole-3-carboxylic acid (CID 67143338) is 1-ethyl-4-methyl-5-(2-methylpropyl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-ethyl-4-methyl-5-(2-methylpropyl)pyrazole-3-carboxylic acid?
The canonical SMILES for 1-ethyl-4-methyl-5-(2-methylpropyl)pyrazole-3-carboxylic acid is CCn1nc(C(=O)O)c(C)c1CC(C)C.
What is the InChIKey of 1-ethyl-4-methyl-5-(2-methylpropyl)pyrazole-3-carboxylic acid?
The InChIKey is VZYAXFRJSCCOIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-5-13-9(6-7(2)3)8(4)10(12-13)11(14)15/h7H,5-6H2,1-4H3,(H,14,15).
What are the key properties of 1-ethyl-4-methyl-5-(2-methylpropyl)pyrazole-3-carboxylic acid?
1-ethyl-4-methyl-5-(2-methylpropyl)pyrazole-3-carboxylic acid has a molecular weight of 210.28 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-methyl-5-(2-methylpropyl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 67143338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).