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

C11H16N2O2 — CID 43145812

IUPAC5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carboxylic acid
SMILESCC(C)Cn1ncc(C(=O)O)c1C1CC1
InChIInChI=1S/C11H16N2O2/c1-7(2)6-13-10(8-3-4-8)9(5-12-13)11(14)15/h5,7-8H,3-4,6H2,1-2H3,(H,14,15)
InChIKeyVFNMMVCYCODIGI-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.11
Rot. Bonds4

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

5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carboxylic acid (PubChem CID 43145812) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carboxylic acid
PubChem CID43145812
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carboxylic acid
SMILESCC(C)Cn1ncc(C(=O)O)c1C1CC1
InChIInChI=1S/C11H16N2O2/c1-7(2)6-13-10(8-3-4-8)9(5-12-13)11(14)15/h5,7-8H,3-4,6H2,1-2H3,(H,14,15)
InChIKeyVFNMMVCYCODIGI-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 ≤ 500208.26
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carboxylic acid?
The IUPAC name of 5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carboxylic acid (CID 43145812) is 5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carboxylic acid?
The canonical SMILES for 5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carboxylic acid is CC(C)Cn1ncc(C(=O)O)c1C1CC1.
What is the InChIKey of 5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carboxylic acid?
The InChIKey is VFNMMVCYCODIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-7(2)6-13-10(8-3-4-8)9(5-12-13)11(14)15/h5,7-8H,3-4,6H2,1-2H3,(H,14,15).
What are the key properties of 5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carboxylic acid?
5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carboxylic acid has a molecular weight of 208.26 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 5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 43145812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).