5-cyclobutyl-1H-pyrazole-4-carboxylic acid

C8H10N2O2 — CID 82414348

IUPAC5-cyclobutyl-1H-pyrazole-4-carboxylic acid
SMILESO=C(O)c1cn[nH]c1C1CCC1
InChIInChI=1S/C8H10N2O2/c11-8(12)6-4-9-10-7(6)5-2-1-3-5/h4-5H,1-3H2,(H,9,10)(H,11,12)
InChIKeyHNAUTJMJHSHQFL-UHFFFAOYSA-N
MW166.18 g/mol
LogP1.38
Rot. Bonds2

About 5-cyclobutyl-1H-pyrazole-4-carboxylic acid

5-cyclobutyl-1H-pyrazole-4-carboxylic acid (PubChem CID 82414348) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 5-cyclobutyl-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-cyclobutyl-1H-pyrazole-4-carboxylic acid
PubChem CID82414348
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name5-cyclobutyl-1H-pyrazole-4-carboxylic acid
SMILESO=C(O)c1cn[nH]c1C1CCC1
InChIInChI=1S/C8H10N2O2/c11-8(12)6-4-9-10-7(6)5-2-1-3-5/h4-5H,1-3H2,(H,9,10)(H,11,12)
InChIKeyHNAUTJMJHSHQFL-UHFFFAOYSA-N
XLogP1.38
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-cyclobutyl-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 5-cyclobutyl-1H-pyrazole-4-carboxylic acid (CID 82414348) is 5-cyclobutyl-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-cyclobutyl-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 5-cyclobutyl-1H-pyrazole-4-carboxylic acid is O=C(O)c1cn[nH]c1C1CCC1.
What is the InChIKey of 5-cyclobutyl-1H-pyrazole-4-carboxylic acid?
The InChIKey is HNAUTJMJHSHQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c11-8(12)6-4-9-10-7(6)5-2-1-3-5/h4-5H,1-3H2,(H,9,10)(H,11,12).
What are the key properties of 5-cyclobutyl-1H-pyrazole-4-carboxylic acid?
5-cyclobutyl-1H-pyrazole-4-carboxylic acid has a molecular weight of 166.18 g/mol, XLogP of 1.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclobutyl-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 82414348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).