3-cyclopropyl-1-[[3-(difluoromethoxy)cyclobutyl]methyl]-4-(trifluoromethyl)pyrazole-5-carboxylic acid

C14H15F5N2O3 — CID 167334351

IUPAC3-cyclopropyl-1-[[3-(difluoromethoxy)cyclobutyl]methyl]-4-(trifluoromethyl)pyrazole-5-carboxylic acid
SMILESO=C(O)c1c(C(F)(F)F)c(C2CC2)nn1CC1CC(OC(F)F)C1
InChIInChI=1S/C14H15F5N2O3/c15-13(16)24-8-3-6(4-8)5-21-11(12(22)23)9(14(17,18)19)10(20-21)7-1-2-7/h6-8,13H,1-5H2,(H,22,23)
InChIKeyYPDABBVEZAGZSF-UHFFFAOYSA-N
MW354.28 g/mol
LogP3.50
Rot. Bonds6

About 3-cyclopropyl-1-[[3-(difluoromethoxy)cyclobutyl]methyl]-4-(trifluoromethyl)pyrazole-5-carboxylic acid

3-cyclopropyl-1-[[3-(difluoromethoxy)cyclobutyl]methyl]-4-(trifluoromethyl)pyrazole-5-carboxylic acid (PubChem CID 167334351) has the molecular formula C14H15F5N2O3 and a molecular weight of 354.28 g/mol. Its IUPAC name is 3-cyclopropyl-1-[[3-(difluoromethoxy)cyclobutyl]methyl]-4-(trifluoromethyl)pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-cyclopropyl-1-[[3-(difluoromethoxy)cyclobutyl]methyl]-4-(trifluoromethyl)pyrazole-5-carboxylic acid
PubChem CID167334351
Molecular FormulaC14H15F5N2O3
Molecular Weight354.28 g/mol
Exact Mass354.10
IUPAC Name3-cyclopropyl-1-[[3-(difluoromethoxy)cyclobutyl]methyl]-4-(trifluoromethyl)pyrazole-5-carboxylic acid
SMILESO=C(O)c1c(C(F)(F)F)c(C2CC2)nn1CC1CC(OC(F)F)C1
InChIInChI=1S/C14H15F5N2O3/c15-13(16)24-8-3-6(4-8)5-21-11(12(22)23)9(14(17,18)19)10(20-21)7-1-2-7/h6-8,13H,1-5H2,(H,22,23)
InChIKeyYPDABBVEZAGZSF-UHFFFAOYSA-N
XLogP3.50
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.28
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-[[3-(difluoromethoxy)cyclobutyl]methyl]-4-(trifluoromethyl)pyrazole-5-carboxylic acid?
The IUPAC name of 3-cyclopropyl-1-[[3-(difluoromethoxy)cyclobutyl]methyl]-4-(trifluoromethyl)pyrazole-5-carboxylic acid (CID 167334351) is 3-cyclopropyl-1-[[3-(difluoromethoxy)cyclobutyl]methyl]-4-(trifluoromethyl)pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-cyclopropyl-1-[[3-(difluoromethoxy)cyclobutyl]methyl]-4-(trifluoromethyl)pyrazole-5-carboxylic acid?
The canonical SMILES for 3-cyclopropyl-1-[[3-(difluoromethoxy)cyclobutyl]methyl]-4-(trifluoromethyl)pyrazole-5-carboxylic acid is O=C(O)c1c(C(F)(F)F)c(C2CC2)nn1CC1CC(OC(F)F)C1.
What is the InChIKey of 3-cyclopropyl-1-[[3-(difluoromethoxy)cyclobutyl]methyl]-4-(trifluoromethyl)pyrazole-5-carboxylic acid?
The InChIKey is YPDABBVEZAGZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F5N2O3/c15-13(16)24-8-3-6(4-8)5-21-11(12(22)23)9(14(17,18)19)10(20-21)7-1-2-7/h6-8,13H,1-5H2,(H,22,23).
What are the key properties of 3-cyclopropyl-1-[[3-(difluoromethoxy)cyclobutyl]methyl]-4-(trifluoromethyl)pyrazole-5-carboxylic acid?
3-cyclopropyl-1-[[3-(difluoromethoxy)cyclobutyl]methyl]-4-(trifluoromethyl)pyrazole-5-carboxylic acid has a molecular weight of 354.28 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-[[3-(difluoromethoxy)cyclobutyl]methyl]-4-(trifluoromethyl)pyrazole-5-carboxylic acid is sourced from PubChem (CID 167334351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).