(3-fluorocyclobutyl) N-[4-tert-butyl-3-(3,3-difluorocyclobutyl)-1-methylpyrazol-5-yl]carbamate

C17H24F3N3O2 — CID 169169350

IUPAC(3-fluorocyclobutyl) N-[4-tert-butyl-3-(3,3-difluorocyclobutyl)-1-methylpyrazol-5-yl]carbamate
SMILESCn1nc(C2CC(F)(F)C2)c(C(C)(C)C)c1NC(=O)OC1CC(F)C1
InChIInChI=1S/C17H24F3N3O2/c1-16(2,3)12-13(9-7-17(19,20)8-9)22-23(4)14(12)21-15(24)25-11-5-10(18)6-11/h9-11H,5-8H2,1-4H3,(H,21,24)
InChIKeyRKJUUNGVPSEUBH-UHFFFAOYSA-N
MW359.39 g/mol
LogP4.28
Rot. Bonds3

About (3-fluorocyclobutyl) N-[4-tert-butyl-3-(3,3-difluorocyclobutyl)-1-methylpyrazol-5-yl]carbamate

(3-fluorocyclobutyl) N-[4-tert-butyl-3-(3,3-difluorocyclobutyl)-1-methylpyrazol-5-yl]carbamate (PubChem CID 169169350) has the molecular formula C17H24F3N3O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is (3-fluorocyclobutyl) N-[4-tert-butyl-3-(3,3-difluorocyclobutyl)-1-methylpyrazol-5-yl]carbamate.

Molecular Properties

Compound Name(3-fluorocyclobutyl) N-[4-tert-butyl-3-(3,3-difluorocyclobutyl)-1-methylpyrazol-5-yl]carbamate
PubChem CID169169350
Molecular FormulaC17H24F3N3O2
Molecular Weight359.39 g/mol
Exact Mass359.18
IUPAC Name(3-fluorocyclobutyl) N-[4-tert-butyl-3-(3,3-difluorocyclobutyl)-1-methylpyrazol-5-yl]carbamate
SMILESCn1nc(C2CC(F)(F)C2)c(C(C)(C)C)c1NC(=O)OC1CC(F)C1
InChIInChI=1S/C17H24F3N3O2/c1-16(2,3)12-13(9-7-17(19,20)8-9)22-23(4)14(12)21-15(24)25-11-5-10(18)6-11/h9-11H,5-8H2,1-4H3,(H,21,24)
InChIKeyRKJUUNGVPSEUBH-UHFFFAOYSA-N
XLogP4.28
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3-fluorocyclobutyl) N-[4-tert-butyl-3-(3,3-difluorocyclobutyl)-1-methylpyrazol-5-yl]carbamate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-fluorocyclobutyl) N-[4-tert-butyl-3-(3,3-difluorocyclobutyl)-1-methylpyrazol-5-yl]carbamate?
The IUPAC name of (3-fluorocyclobutyl) N-[4-tert-butyl-3-(3,3-difluorocyclobutyl)-1-methylpyrazol-5-yl]carbamate (CID 169169350) is (3-fluorocyclobutyl) N-[4-tert-butyl-3-(3,3-difluorocyclobutyl)-1-methylpyrazol-5-yl]carbamate.
What is the SMILES notation for (3-fluorocyclobutyl) N-[4-tert-butyl-3-(3,3-difluorocyclobutyl)-1-methylpyrazol-5-yl]carbamate?
The canonical SMILES for (3-fluorocyclobutyl) N-[4-tert-butyl-3-(3,3-difluorocyclobutyl)-1-methylpyrazol-5-yl]carbamate is Cn1nc(C2CC(F)(F)C2)c(C(C)(C)C)c1NC(=O)OC1CC(F)C1.
What is the InChIKey of (3-fluorocyclobutyl) N-[4-tert-butyl-3-(3,3-difluorocyclobutyl)-1-methylpyrazol-5-yl]carbamate?
The InChIKey is RKJUUNGVPSEUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3N3O2/c1-16(2,3)12-13(9-7-17(19,20)8-9)22-23(4)14(12)21-15(24)25-11-5-10(18)6-11/h9-11H,5-8H2,1-4H3,(H,21,24).
What are the key properties of (3-fluorocyclobutyl) N-[4-tert-butyl-3-(3,3-difluorocyclobutyl)-1-methylpyrazol-5-yl]carbamate?
(3-fluorocyclobutyl) N-[4-tert-butyl-3-(3,3-difluorocyclobutyl)-1-methylpyrazol-5-yl]carbamate has a molecular weight of 359.39 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorocyclobutyl) N-[4-tert-butyl-3-(3,3-difluorocyclobutyl)-1-methylpyrazol-5-yl]carbamate is sourced from PubChem (CID 169169350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).