2,2-difluoroethyl N-[4-cyclobutyl-3-[3-fluoro-3-(fluoromethyl)-1-methylcyclobutyl]-1-methylpyrazol-5-yl]carbamate

C17H23F4N3O2 — CID 169169283

IUPAC2,2-difluoroethyl N-[4-cyclobutyl-3-[3-fluoro-3-(fluoromethyl)-1-methylcyclobutyl]-1-methylpyrazol-5-yl]carbamate
SMILESCn1nc(C2(C)CC(F)(CF)C2)c(C2CCC2)c1NC(=O)OCC(F)F
InChIInChI=1S/C17H23F4N3O2/c1-16(7-17(21,8-16)9-18)13-12(10-4-3-5-10)14(24(2)23-13)22-15(25)26-6-11(19)20/h10-11H,3-9H2,1-2H3,(H,22,25)
InChIKeyXNHPSAKDXFJCGJ-UHFFFAOYSA-N
MW377.38 g/mol
LogP4.23
Rot. Bonds6

About 2,2-difluoroethyl N-[4-cyclobutyl-3-[3-fluoro-3-(fluoromethyl)-1-methylcyclobutyl]-1-methylpyrazol-5-yl]carbamate

2,2-difluoroethyl N-[4-cyclobutyl-3-[3-fluoro-3-(fluoromethyl)-1-methylcyclobutyl]-1-methylpyrazol-5-yl]carbamate (PubChem CID 169169283) has the molecular formula C17H23F4N3O2 and a molecular weight of 377.38 g/mol. Its IUPAC name is 2,2-difluoroethyl N-[4-cyclobutyl-3-[3-fluoro-3-(fluoromethyl)-1-methylcyclobutyl]-1-methylpyrazol-5-yl]carbamate.

Molecular Properties

Compound Name2,2-difluoroethyl N-[4-cyclobutyl-3-[3-fluoro-3-(fluoromethyl)-1-methylcyclobutyl]-1-methylpyrazol-5-yl]carbamate
PubChem CID169169283
Molecular FormulaC17H23F4N3O2
Molecular Weight377.38 g/mol
Exact Mass377.17
IUPAC Name2,2-difluoroethyl N-[4-cyclobutyl-3-[3-fluoro-3-(fluoromethyl)-1-methylcyclobutyl]-1-methylpyrazol-5-yl]carbamate
SMILESCn1nc(C2(C)CC(F)(CF)C2)c(C2CCC2)c1NC(=O)OCC(F)F
InChIInChI=1S/C17H23F4N3O2/c1-16(7-17(21,8-16)9-18)13-12(10-4-3-5-10)14(24(2)23-13)22-15(25)26-6-11(19)20/h10-11H,3-9H2,1-2H3,(H,22,25)
InChIKeyXNHPSAKDXFJCGJ-UHFFFAOYSA-N
XLogP4.23
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.38
LogP ≤ 54.23
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-3-[(3,3-difluorocyclobutyl)methyl]-1-methylpyrazol-5-yl]-3-methylbutanamide
CID 169169267
3-cyclobutyl-N-[4-cyclobutyl-3-[(3,3-difluorocyclobutyl)methyl]-1-methylpyrazol-5-yl]-3-methylbutanamide
CID 169169271
N-[4-cyclobutyl-3-[(3,3-difluorocyclobutyl)methyl]-1-methylpyrazol-5-yl]-2-(3,3-difluorocyclobutyl)acetamide
CID 169169281
[[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 2,2-difluoroethyl N-[4-cyclobutyl-3-[3-fluoro-3-(fluoromethyl)-1-methylcyclobutyl]-1-methylpyrazol-5-yl]carbamate?
The IUPAC name of 2,2-difluoroethyl N-[4-cyclobutyl-3-[3-fluoro-3-(fluoromethyl)-1-methylcyclobutyl]-1-methylpyrazol-5-yl]carbamate (CID 169169283) is 2,2-difluoroethyl N-[4-cyclobutyl-3-[3-fluoro-3-(fluoromethyl)-1-methylcyclobutyl]-1-methylpyrazol-5-yl]carbamate.
What is the SMILES notation for 2,2-difluoroethyl N-[4-cyclobutyl-3-[3-fluoro-3-(fluoromethyl)-1-methylcyclobutyl]-1-methylpyrazol-5-yl]carbamate?
The canonical SMILES for 2,2-difluoroethyl N-[4-cyclobutyl-3-[3-fluoro-3-(fluoromethyl)-1-methylcyclobutyl]-1-methylpyrazol-5-yl]carbamate is Cn1nc(C2(C)CC(F)(CF)C2)c(C2CCC2)c1NC(=O)OCC(F)F.
What is the InChIKey of 2,2-difluoroethyl N-[4-cyclobutyl-3-[3-fluoro-3-(fluoromethyl)-1-methylcyclobutyl]-1-methylpyrazol-5-yl]carbamate?
The InChIKey is XNHPSAKDXFJCGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F4N3O2/c1-16(7-17(21,8-16)9-18)13-12(10-4-3-5-10)14(24(2)23-13)22-15(25)26-6-11(19)20/h10-11H,3-9H2,1-2H3,(H,22,25).
What are the key properties of 2,2-difluoroethyl N-[4-cyclobutyl-3-[3-fluoro-3-(fluoromethyl)-1-methylcyclobutyl]-1-methylpyrazol-5-yl]carbamate?
2,2-difluoroethyl N-[4-cyclobutyl-3-[3-fluoro-3-(fluoromethyl)-1-methylcyclobutyl]-1-methylpyrazol-5-yl]carbamate has a molecular weight of 377.38 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoroethyl N-[4-cyclobutyl-3-[3-fluoro-3-(fluoromethyl)-1-methylcyclobutyl]-1-methylpyrazol-5-yl]carbamate is sourced from PubChem (CID 169169283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).