3-[3-(difluoromethyl)pyrazol-1-yl]-3-ethylcyclobutane-1-carboxylic acid

C11H14F2N2O2 — CID 166694589

IUPAC3-[3-(difluoromethyl)pyrazol-1-yl]-3-ethylcyclobutane-1-carboxylic acid
SMILESCCC1(n2ccc(C(F)F)n2)CC(C(=O)O)C1
InChIInChI=1S/C11H14F2N2O2/c1-2-11(5-7(6-11)10(16)17)15-4-3-8(14-15)9(12)13/h3-4,7,9H,2,5-6H2,1H3,(H,16,17)
InChIKeyIDPTVOCDAIFORT-UHFFFAOYSA-N
MW244.24 g/mol
LogP2.42
Rot. Bonds4

About 3-[3-(difluoromethyl)pyrazol-1-yl]-3-ethylcyclobutane-1-carboxylic acid

3-[3-(difluoromethyl)pyrazol-1-yl]-3-ethylcyclobutane-1-carboxylic acid (PubChem CID 166694589) has the molecular formula C11H14F2N2O2 and a molecular weight of 244.24 g/mol. Its IUPAC name is 3-[3-(difluoromethyl)pyrazol-1-yl]-3-ethylcyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name3-[3-(difluoromethyl)pyrazol-1-yl]-3-ethylcyclobutane-1-carboxylic acid
PubChem CID166694589
Molecular FormulaC11H14F2N2O2
Molecular Weight244.24 g/mol
Exact Mass244.10
IUPAC Name3-[3-(difluoromethyl)pyrazol-1-yl]-3-ethylcyclobutane-1-carboxylic acid
SMILESCCC1(n2ccc(C(F)F)n2)CC(C(=O)O)C1
InChIInChI=1S/C11H14F2N2O2/c1-2-11(5-7(6-11)10(16)17)15-4-3-8(14-15)9(12)13/h3-4,7,9H,2,5-6H2,1H3,(H,16,17)
InChIKeyIDPTVOCDAIFORT-UHFFFAOYSA-N
XLogP2.42
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[3-(difluoromethyl)pyrazol-1-yl]-3-ethylcyclobutane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(Trifluoromethyl)pyrazol-1-yl]cyclopentane-1-carboxylic acid
CID 114989809
1-[3-(Trifluoromethyl)pyrazol-1-yl]cyclohexane-1-carboxylic acid
CID 137832393
4-[3-(Trifluoromethyl)pyrazol-1-yl]butanoic acid
CID 19620054
4-methyl-2-(3-(trifluoromethyl)-1H-pyrazol-1-yl)pentanoic acid
CID 71186923
2-(3-(trifluoromethyl)-1H-pyrazol-1-yl)hexanoic acid
CID 71204609
3-(1-(2,2,2-Trifluoroethyl)-1H-pyrazol-5-yl)propanoic acid
CID 146256744
6,6,6-Trifluoro-4-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]hexanoic acid
CID 150783265
Ethyl 3-[3-(difluoromethyl)pyrazol-1-yl]cyclobutane-1-carboxylate
CID 156823396
3-Methyl-4-[3-(trifluoromethyl)pyrazol-1-yl]butanoic acid
CID 174764083
1-[3-(Difluoromethyl)pyrazol-1-yl]cyclohexane-1-carboxylic acid
CID 175176359
3-[2-(1,2,2-Trifluoroethyl)pyrazol-3-yl]propanoic acid
CID 175505387
2-[3-(Trifluoromethyl)pyrazol-1-yl]cycloheptane-1-carboxylic acid
CID 55180508

Frequently Asked Questions

What is the IUPAC name of 3-[3-(difluoromethyl)pyrazol-1-yl]-3-ethylcyclobutane-1-carboxylic acid?
The IUPAC name of 3-[3-(difluoromethyl)pyrazol-1-yl]-3-ethylcyclobutane-1-carboxylic acid (CID 166694589) is 3-[3-(difluoromethyl)pyrazol-1-yl]-3-ethylcyclobutane-1-carboxylic acid.
What is the SMILES notation for 3-[3-(difluoromethyl)pyrazol-1-yl]-3-ethylcyclobutane-1-carboxylic acid?
The canonical SMILES for 3-[3-(difluoromethyl)pyrazol-1-yl]-3-ethylcyclobutane-1-carboxylic acid is CCC1(n2ccc(C(F)F)n2)CC(C(=O)O)C1.
What is the InChIKey of 3-[3-(difluoromethyl)pyrazol-1-yl]-3-ethylcyclobutane-1-carboxylic acid?
The InChIKey is IDPTVOCDAIFORT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O2/c1-2-11(5-7(6-11)10(16)17)15-4-3-8(14-15)9(12)13/h3-4,7,9H,2,5-6H2,1H3,(H,16,17).
What are the key properties of 3-[3-(difluoromethyl)pyrazol-1-yl]-3-ethylcyclobutane-1-carboxylic acid?
3-[3-(difluoromethyl)pyrazol-1-yl]-3-ethylcyclobutane-1-carboxylic acid has a molecular weight of 244.24 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(difluoromethyl)pyrazol-1-yl]-3-ethylcyclobutane-1-carboxylic acid is sourced from PubChem (CID 166694589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).