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

C16H22F3N3O2 — CID 169169306

IUPAC(2-fluoro-2-methylpropyl) N-[4-cyclopropyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]carbamate
SMILESCn1nc(C2CC(F)(F)C2)c(C2CC2)c1NC(=O)OCC(C)(C)F
InChIInChI=1S/C16H22F3N3O2/c1-15(2,17)8-24-14(23)20-13-11(9-4-5-9)12(21-22(13)3)10-6-16(18,19)7-10/h9-10H,4-8H2,1-3H3,(H,20,23)
InChIKeyYYOJHYSUZNIULE-UHFFFAOYSA-N
MW345.37 g/mol
LogP4.11
Rot. Bonds5

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

(2-fluoro-2-methylpropyl) N-[4-cyclopropyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]carbamate (PubChem CID 169169306) has the molecular formula C16H22F3N3O2 and a molecular weight of 345.37 g/mol. Its IUPAC name is (2-fluoro-2-methylpropyl) N-[4-cyclopropyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]carbamate.

Molecular Properties

Compound Name(2-fluoro-2-methylpropyl) N-[4-cyclopropyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]carbamate
PubChem CID169169306
Molecular FormulaC16H22F3N3O2
Molecular Weight345.37 g/mol
Exact Mass345.17
IUPAC Name(2-fluoro-2-methylpropyl) N-[4-cyclopropyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]carbamate
SMILESCn1nc(C2CC(F)(F)C2)c(C2CC2)c1NC(=O)OCC(C)(C)F
InChIInChI=1S/C16H22F3N3O2/c1-15(2,17)8-24-14(23)20-13-11(9-4-5-9)12(21-22(13)3)10-6-16(18,19)7-10/h9-10H,4-8H2,1-3H3,(H,20,23)
InChIKeyYYOJHYSUZNIULE-UHFFFAOYSA-N
XLogP4.11
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 ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-fluoro-2-methylpropyl) N-[4-cyclopropyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]carbamate?
The IUPAC name of (2-fluoro-2-methylpropyl) N-[4-cyclopropyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]carbamate (CID 169169306) is (2-fluoro-2-methylpropyl) N-[4-cyclopropyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]carbamate.
What is the SMILES notation for (2-fluoro-2-methylpropyl) N-[4-cyclopropyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]carbamate?
The canonical SMILES for (2-fluoro-2-methylpropyl) N-[4-cyclopropyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]carbamate is Cn1nc(C2CC(F)(F)C2)c(C2CC2)c1NC(=O)OCC(C)(C)F.
What is the InChIKey of (2-fluoro-2-methylpropyl) N-[4-cyclopropyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]carbamate?
The InChIKey is YYOJHYSUZNIULE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N3O2/c1-15(2,17)8-24-14(23)20-13-11(9-4-5-9)12(21-22(13)3)10-6-16(18,19)7-10/h9-10H,4-8H2,1-3H3,(H,20,23).
What are the key properties of (2-fluoro-2-methylpropyl) N-[4-cyclopropyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]carbamate?
(2-fluoro-2-methylpropyl) N-[4-cyclopropyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]carbamate has a molecular weight of 345.37 g/mol, XLogP of 4.11, 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-[4-cyclopropyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]carbamate is sourced from PubChem (CID 169169306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).