1-butan-2-yl-5-cyclopropylpyrazole-4-carboxylic acid

C11H16N2O2 — CID 61272653

IUPAC1-butan-2-yl-5-cyclopropylpyrazole-4-carboxylic acid
SMILESCCC(C)n1ncc(C(=O)O)c1C1CC1
InChIInChI=1S/C11H16N2O2/c1-3-7(2)13-10(8-4-5-8)9(6-12-13)11(14)15/h6-8H,3-5H2,1-2H3,(H,14,15)
InChIKeyAQLPNAWLKPYKSU-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.43
Rot. Bonds4

About 1-butan-2-yl-5-cyclopropylpyrazole-4-carboxylic acid

1-butan-2-yl-5-cyclopropylpyrazole-4-carboxylic acid (PubChem CID 61272653) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-butan-2-yl-5-cyclopropylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-butan-2-yl-5-cyclopropylpyrazole-4-carboxylic acid
PubChem CID61272653
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name1-butan-2-yl-5-cyclopropylpyrazole-4-carboxylic acid
SMILESCCC(C)n1ncc(C(=O)O)c1C1CC1
InChIInChI=1S/C11H16N2O2/c1-3-7(2)13-10(8-4-5-8)9(6-12-13)11(14)15/h6-8H,3-5H2,1-2H3,(H,14,15)
InChIKeyAQLPNAWLKPYKSU-UHFFFAOYSA-N
XLogP2.43
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 ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-5-cyclopropylpyrazole-4-carboxylic acid?
The IUPAC name of 1-butan-2-yl-5-cyclopropylpyrazole-4-carboxylic acid (CID 61272653) is 1-butan-2-yl-5-cyclopropylpyrazole-4-carboxylic acid.
What is the SMILES notation for 1-butan-2-yl-5-cyclopropylpyrazole-4-carboxylic acid?
The canonical SMILES for 1-butan-2-yl-5-cyclopropylpyrazole-4-carboxylic acid is CCC(C)n1ncc(C(=O)O)c1C1CC1.
What is the InChIKey of 1-butan-2-yl-5-cyclopropylpyrazole-4-carboxylic acid?
The InChIKey is AQLPNAWLKPYKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-3-7(2)13-10(8-4-5-8)9(6-12-13)11(14)15/h6-8H,3-5H2,1-2H3,(H,14,15).
What are the key properties of 1-butan-2-yl-5-cyclopropylpyrazole-4-carboxylic acid?
1-butan-2-yl-5-cyclopropylpyrazole-4-carboxylic acid has a molecular weight of 208.26 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-5-cyclopropylpyrazole-4-carboxylic acid is sourced from PubChem (CID 61272653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).