2-(2-methylpyrazol-3-yl)cyclobutane-1-carboxylic acid

C9H12N2O2 — CID 81008802

IUPAC2-(2-methylpyrazol-3-yl)cyclobutane-1-carboxylic acid
SMILESCn1nccc1C1CCC1C(=O)O
InChIInChI=1S/C9H12N2O2/c1-11-8(4-5-10-11)6-2-3-7(6)9(12)13/h4-7H,2-3H2,1H3,(H,12,13)
InChIKeyFXOGLZDLXCZSME-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.00
Rot. Bonds2

About 2-(2-methylpyrazol-3-yl)cyclobutane-1-carboxylic acid

2-(2-methylpyrazol-3-yl)cyclobutane-1-carboxylic acid (PubChem CID 81008802) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 2-(2-methylpyrazol-3-yl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-(2-methylpyrazol-3-yl)cyclobutane-1-carboxylic acid
PubChem CID81008802
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name2-(2-methylpyrazol-3-yl)cyclobutane-1-carboxylic acid
SMILESCn1nccc1C1CCC1C(=O)O
InChIInChI=1S/C9H12N2O2/c1-11-8(4-5-10-11)6-2-3-7(6)9(12)13/h4-7H,2-3H2,1H3,(H,12,13)
InChIKeyFXOGLZDLXCZSME-UHFFFAOYSA-N
XLogP1.00
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpyrazol-3-yl)cyclobutane-1-carboxylic acid?
The IUPAC name of 2-(2-methylpyrazol-3-yl)cyclobutane-1-carboxylic acid (CID 81008802) is 2-(2-methylpyrazol-3-yl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-(2-methylpyrazol-3-yl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-(2-methylpyrazol-3-yl)cyclobutane-1-carboxylic acid is Cn1nccc1C1CCC1C(=O)O.
What is the InChIKey of 2-(2-methylpyrazol-3-yl)cyclobutane-1-carboxylic acid?
The InChIKey is FXOGLZDLXCZSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-11-8(4-5-10-11)6-2-3-7(6)9(12)13/h4-7H,2-3H2,1H3,(H,12,13).
What are the key properties of 2-(2-methylpyrazol-3-yl)cyclobutane-1-carboxylic acid?
2-(2-methylpyrazol-3-yl)cyclobutane-1-carboxylic acid has a molecular weight of 180.21 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpyrazol-3-yl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81008802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).