2,2-difluoroethyl N-[2-cyclobutyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]carbamate

C15H19F4N3O2 — CID 169169293

IUPAC2,2-difluoroethyl N-[2-cyclobutyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]carbamate
SMILESCc1c(C2CC(F)(F)C2)nn(C2CCC2)c1NC(=O)OCC(F)F
InChIInChI=1S/C15H19F4N3O2/c1-8-12(9-5-15(18,19)6-9)21-22(10-3-2-4-10)13(8)20-14(23)24-7-11(16)17/h9-11H,2-7H2,1H3,(H,20,23)
InChIKeyCGWOLNMXPXALPB-UHFFFAOYSA-N
MW349.33 g/mol
LogP4.24
Rot. Bonds5

About 2,2-difluoroethyl N-[2-cyclobutyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]carbamate

2,2-difluoroethyl N-[2-cyclobutyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]carbamate (PubChem CID 169169293) has the molecular formula C15H19F4N3O2 and a molecular weight of 349.33 g/mol. Its IUPAC name is 2,2-difluoroethyl N-[2-cyclobutyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]carbamate.

Molecular Properties

Compound Name2,2-difluoroethyl N-[2-cyclobutyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]carbamate
PubChem CID169169293
Molecular FormulaC15H19F4N3O2
Molecular Weight349.33 g/mol
Exact Mass349.14
IUPAC Name2,2-difluoroethyl N-[2-cyclobutyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]carbamate
SMILESCc1c(C2CC(F)(F)C2)nn(C2CCC2)c1NC(=O)OCC(F)F
InChIInChI=1S/C15H19F4N3O2/c1-8-12(9-5-15(18,19)6-9)21-22(10-3-2-4-10)13(8)20-14(23)24-7-11(16)17/h9-11H,2-7H2,1H3,(H,20,23)
InChIKeyCGWOLNMXPXALPB-UHFFFAOYSA-N
XLogP4.24
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.33
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoroethyl N-[2-cyclobutyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]carbamate?
The IUPAC name of 2,2-difluoroethyl N-[2-cyclobutyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]carbamate (CID 169169293) is 2,2-difluoroethyl N-[2-cyclobutyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]carbamate.
What is the SMILES notation for 2,2-difluoroethyl N-[2-cyclobutyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]carbamate?
The canonical SMILES for 2,2-difluoroethyl N-[2-cyclobutyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]carbamate is Cc1c(C2CC(F)(F)C2)nn(C2CCC2)c1NC(=O)OCC(F)F.
What is the InChIKey of 2,2-difluoroethyl N-[2-cyclobutyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]carbamate?
The InChIKey is CGWOLNMXPXALPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F4N3O2/c1-8-12(9-5-15(18,19)6-9)21-22(10-3-2-4-10)13(8)20-14(23)24-7-11(16)17/h9-11H,2-7H2,1H3,(H,20,23).
What are the key properties of 2,2-difluoroethyl N-[2-cyclobutyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]carbamate?
2,2-difluoroethyl N-[2-cyclobutyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]carbamate has a molecular weight of 349.33 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoroethyl N-[2-cyclobutyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]carbamate is sourced from PubChem (CID 169169293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).