(2-fluoro-2-methylpropyl) N-[2-cyclopropyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]carbamate

C16H22F3N3O2 — CID 172633789

IUPAC(2-fluoro-2-methylpropyl) N-[2-cyclopropyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]carbamate
SMILESCc1c(C2CC(F)(F)C2)nn(C2CC2)c1NC(=O)OCC(C)(C)F
InChIInChI=1S/C16H22F3N3O2/c1-9-12(10-6-16(18,19)7-10)21-22(11-4-5-11)13(9)20-14(23)24-8-15(2,3)17/h10-11H,4-8H2,1-3H3,(H,20,23)
InChIKeyKXNDSJZSSFVRCC-UHFFFAOYSA-N
MW345.37 g/mol
LogP4.34
Rot. Bonds5

About (2-fluoro-2-methylpropyl) N-[2-cyclopropyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]carbamate

(2-fluoro-2-methylpropyl) N-[2-cyclopropyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]carbamate (PubChem CID 172633789) has the molecular formula C16H22F3N3O2 and a molecular weight of 345.37 g/mol. Its IUPAC name is (2-fluoro-2-methylpropyl) N-[2-cyclopropyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]carbamate.

Molecular Properties

Compound Name(2-fluoro-2-methylpropyl) N-[2-cyclopropyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]carbamate
PubChem CID172633789
Molecular FormulaC16H22F3N3O2
Molecular Weight345.37 g/mol
Exact Mass345.17
IUPAC Name(2-fluoro-2-methylpropyl) N-[2-cyclopropyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]carbamate
SMILESCc1c(C2CC(F)(F)C2)nn(C2CC2)c1NC(=O)OCC(C)(C)F
InChIInChI=1S/C16H22F3N3O2/c1-9-12(10-6-16(18,19)7-10)21-22(11-4-5-11)13(9)20-14(23)24-8-15(2,3)17/h10-11H,4-8H2,1-3H3,(H,20,23)
InChIKeyKXNDSJZSSFVRCC-UHFFFAOYSA-N
XLogP4.34
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2-fluoro-2-methylpropyl) N-[2-cyclopropyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-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 (2-fluoro-2-methylpropyl) N-[2-cyclopropyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]carbamate?
The IUPAC name of (2-fluoro-2-methylpropyl) N-[2-cyclopropyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]carbamate (CID 172633789) is (2-fluoro-2-methylpropyl) N-[2-cyclopropyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]carbamate.
What is the SMILES notation for (2-fluoro-2-methylpropyl) N-[2-cyclopropyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]carbamate?
The canonical SMILES for (2-fluoro-2-methylpropyl) N-[2-cyclopropyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]carbamate is Cc1c(C2CC(F)(F)C2)nn(C2CC2)c1NC(=O)OCC(C)(C)F.
What is the InChIKey of (2-fluoro-2-methylpropyl) N-[2-cyclopropyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]carbamate?
The InChIKey is KXNDSJZSSFVRCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N3O2/c1-9-12(10-6-16(18,19)7-10)21-22(11-4-5-11)13(9)20-14(23)24-8-15(2,3)17/h10-11H,4-8H2,1-3H3,(H,20,23).
What are the key properties of (2-fluoro-2-methylpropyl) N-[2-cyclopropyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]carbamate?
(2-fluoro-2-methylpropyl) N-[2-cyclopropyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]carbamate has a molecular weight of 345.37 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-2-methylpropyl) N-[2-cyclopropyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]carbamate is sourced from PubChem (CID 172633789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).