(3-fluorocyclobutyl) N-[3-(3,3-difluorocyclobutyl)-1-methyl-4-propan-2-ylpyrazol-5-yl]carbamate

C16H22F3N3O2 — CID 169169336

IUPAC(3-fluorocyclobutyl) N-[3-(3,3-difluorocyclobutyl)-1-methyl-4-propan-2-ylpyrazol-5-yl]carbamate
SMILESCC(C)c1c(C2CC(F)(F)C2)nn(C)c1NC(=O)OC1CC(F)C1
InChIInChI=1S/C16H22F3N3O2/c1-8(2)12-13(9-6-16(18,19)7-9)21-22(3)14(12)20-15(23)24-11-4-10(17)5-11/h8-11H,4-7H2,1-3H3,(H,20,23)
InChIKeyAFTYYQUUOFVLNN-UHFFFAOYSA-N
MW345.37 g/mol
LogP4.11
Rot. Bonds4

About (3-fluorocyclobutyl) N-[3-(3,3-difluorocyclobutyl)-1-methyl-4-propan-2-ylpyrazol-5-yl]carbamate

(3-fluorocyclobutyl) N-[3-(3,3-difluorocyclobutyl)-1-methyl-4-propan-2-ylpyrazol-5-yl]carbamate (PubChem CID 169169336) has the molecular formula C16H22F3N3O2 and a molecular weight of 345.37 g/mol. Its IUPAC name is (3-fluorocyclobutyl) N-[3-(3,3-difluorocyclobutyl)-1-methyl-4-propan-2-ylpyrazol-5-yl]carbamate.

Molecular Properties

Compound Name(3-fluorocyclobutyl) N-[3-(3,3-difluorocyclobutyl)-1-methyl-4-propan-2-ylpyrazol-5-yl]carbamate
PubChem CID169169336
Molecular FormulaC16H22F3N3O2
Molecular Weight345.37 g/mol
Exact Mass345.17
IUPAC Name(3-fluorocyclobutyl) N-[3-(3,3-difluorocyclobutyl)-1-methyl-4-propan-2-ylpyrazol-5-yl]carbamate
SMILESCC(C)c1c(C2CC(F)(F)C2)nn(C)c1NC(=O)OC1CC(F)C1
InChIInChI=1S/C16H22F3N3O2/c1-8(2)12-13(9-6-16(18,19)7-9)21-22(3)14(12)20-15(23)24-11-4-10(17)5-11/h8-11H,4-7H2,1-3H3,(H,20,23)
InChIKeyAFTYYQUUOFVLNN-UHFFFAOYSA-N
XLogP4.11
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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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Related Compounds

(S)-[[4-cyclopropyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]amino]-(3-fluorocyclobutyl)oxymethanol
CID 169169261
(3,3-difluorocyclopentyl) N-(5-cyclopentyl-4-cyclopropyl-2-methylpyrazol-3-yl)carbamate
CID 169169262
cyclopropyl N-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]carbamate
CID 169169263
N-[4-cyclobutyl-5-(3,3-dimethoxycyclobutyl)-2-methylpyrazol-3-yl]-3,3-difluorocyclobutane-1-carboxamide
CID 169169264
N-[4-cyclobutyl-3-[(3,3-difluorocyclobutyl)methyl]-1-methylpyrazol-5-yl]-3-methylbutanamide
CID 169169267
2,2-difluoroethyl N-[4-cyclobutyl-3-[3-fluoro-3-(fluoromethyl)-1-methylcyclobutyl]-1-methylpyrazol-5-yl]carbamate
CID 169169283
[[3-(3,3-Difluorocyclobutyl)-1-methyl-4-(1-methylcyclobutyl)pyrazol-5-yl]amino]-(3,3-difluorocyclobutyl)oxymethanol
CID 169169284
2,2-difluoroethyl N-[2-cyclobutyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]carbamate
CID 169169293
[(1S)-1-cyclopropylethyl] N-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]carbamate
CID 169169299
2,2-difluoroethyl N-[4-cyclobutyl-5-[(1R)-2,2-difluorocyclopropyl]-2-methylpyrazol-3-yl]carbamate
CID 169169301
(2-fluoro-2-methylpropyl) N-[4-cyclopropyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]carbamate
CID 169169306
N-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]-3,3-difluoroazetidine-1-carboxamide
CID 169169308

Frequently Asked Questions

What is the IUPAC name of (3-fluorocyclobutyl) N-[3-(3,3-difluorocyclobutyl)-1-methyl-4-propan-2-ylpyrazol-5-yl]carbamate?
The IUPAC name of (3-fluorocyclobutyl) N-[3-(3,3-difluorocyclobutyl)-1-methyl-4-propan-2-ylpyrazol-5-yl]carbamate (CID 169169336) is (3-fluorocyclobutyl) N-[3-(3,3-difluorocyclobutyl)-1-methyl-4-propan-2-ylpyrazol-5-yl]carbamate.
What is the SMILES notation for (3-fluorocyclobutyl) N-[3-(3,3-difluorocyclobutyl)-1-methyl-4-propan-2-ylpyrazol-5-yl]carbamate?
The canonical SMILES for (3-fluorocyclobutyl) N-[3-(3,3-difluorocyclobutyl)-1-methyl-4-propan-2-ylpyrazol-5-yl]carbamate is CC(C)c1c(C2CC(F)(F)C2)nn(C)c1NC(=O)OC1CC(F)C1.
What is the InChIKey of (3-fluorocyclobutyl) N-[3-(3,3-difluorocyclobutyl)-1-methyl-4-propan-2-ylpyrazol-5-yl]carbamate?
The InChIKey is AFTYYQUUOFVLNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N3O2/c1-8(2)12-13(9-6-16(18,19)7-9)21-22(3)14(12)20-15(23)24-11-4-10(17)5-11/h8-11H,4-7H2,1-3H3,(H,20,23).
What are the key properties of (3-fluorocyclobutyl) N-[3-(3,3-difluorocyclobutyl)-1-methyl-4-propan-2-ylpyrazol-5-yl]carbamate?
(3-fluorocyclobutyl) N-[3-(3,3-difluorocyclobutyl)-1-methyl-4-propan-2-ylpyrazol-5-yl]carbamate has a molecular weight of 345.37 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorocyclobutyl) N-[3-(3,3-difluorocyclobutyl)-1-methyl-4-propan-2-ylpyrazol-5-yl]carbamate is sourced from PubChem (CID 169169336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).