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

C17H23F4N3O2 — CID 172633790

IUPAC[3-(difluoromethyl)cyclobutyl] 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(C(F)F)C1
InChIInChI=1S/C17H23F4N3O2/c1-8(2)12-13(10-6-17(20,21)7-10)23-24(3)15(12)22-16(25)26-11-4-9(5-11)14(18)19/h8-11,14H,4-7H2,1-3H3,(H,22,25)
InChIKeyZEWKBFNWGDQZHB-UHFFFAOYSA-N
MW377.38 g/mol
LogP4.65
Rot. Bonds5

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

[3-(difluoromethyl)cyclobutyl] N-[3-(3,3-difluorocyclobutyl)-1-methyl-4-propan-2-ylpyrazol-5-yl]carbamate (PubChem CID 172633790) has the molecular formula C17H23F4N3O2 and a molecular weight of 377.38 g/mol. Its IUPAC name is [3-(difluoromethyl)cyclobutyl] N-[3-(3,3-difluorocyclobutyl)-1-methyl-4-propan-2-ylpyrazol-5-yl]carbamate.

Molecular Properties

Compound Name[3-(difluoromethyl)cyclobutyl] N-[3-(3,3-difluorocyclobutyl)-1-methyl-4-propan-2-ylpyrazol-5-yl]carbamate
PubChem CID172633790
Molecular FormulaC17H23F4N3O2
Molecular Weight377.38 g/mol
Exact Mass377.17
IUPAC Name[3-(difluoromethyl)cyclobutyl] 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(C(F)F)C1
InChIInChI=1S/C17H23F4N3O2/c1-8(2)12-13(10-6-17(20,21)7-10)23-24(3)15(12)22-16(25)26-11-4-9(5-11)14(18)19/h8-11,14H,4-7H2,1-3H3,(H,22,25)
InChIKeyZEWKBFNWGDQZHB-UHFFFAOYSA-N
XLogP4.65
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.38
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(1R)-2,2-difluorocyclopropyl]methyl N-[3-(3,3-difluorocyclobutyl)-1-methyl-4-propan-2-ylpyrazol-5-yl]carbamate
CID 172633871
propan-2-yl N-[4-tert-butyl-3-(3,3-difluorocyclobutyl)-1-methylpyrazol-5-yl]carbamate
CID 172633846
(3,3-difluorocyclobutyl) N-[4-cyclobutyl-5-[(1R)-2,2-difluorocyclopropyl]-2-methylpyrazol-3-yl]carbamate
CID 172633791
(3,3-difluorocyclobutyl) N-(4-cyclobutyl-5-cyclohexyl-2-methylpyrazol-3-yl)carbamate
CID 172633854
[(2R)-5,5-difluoro-4-methylpentan-2-yl] N-[5-(3,3-difluorocyclobutyl)-2,4-dimethylpyrazol-3-yl]carbamate
CID 169169544
[4-(difluoromethyl)cyclohexyl] N-[4,5-di(cyclobutyl)-2-methylpyrazol-3-yl]carbamate
CID 169169634
1-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]-3-[(1S)-1-cyclopropylethyl]urea
CID 172633950
2,2,2-trifluoroethyl N-[3-(3,3-difluorocyclobutyl)-1-methyl-4-phenylpyrazol-5-yl]carbamate
CID 172633838
1-(5-cyclobutyl-2,4-dimethylpyrazol-3-yl)-3-(3,3-difluorocyclobutyl)urea
CID 172633879
1-[4-cyclobutyl-5-(3-hydroxycyclobutyl)-2-methylpyrazol-3-yl]-3-(3,3-difluorocyclobutyl)urea
CID 169169358
2,2-difluoroethyl N-[5-(3,3-difluorocyclobutyl)-4-methyl-2-phenylpyrazol-3-yl]carbamate
CID 170135997
(2S)-N-[2-cyclobutyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]-2-(3,3-difluorocyclobutyl)propanamide
CID 169169644

Frequently Asked Questions

What is the IUPAC name of [3-(difluoromethyl)cyclobutyl] N-[3-(3,3-difluorocyclobutyl)-1-methyl-4-propan-2-ylpyrazol-5-yl]carbamate?
The IUPAC name of [3-(difluoromethyl)cyclobutyl] N-[3-(3,3-difluorocyclobutyl)-1-methyl-4-propan-2-ylpyrazol-5-yl]carbamate (CID 172633790) is [3-(difluoromethyl)cyclobutyl] N-[3-(3,3-difluorocyclobutyl)-1-methyl-4-propan-2-ylpyrazol-5-yl]carbamate.
What is the SMILES notation for [3-(difluoromethyl)cyclobutyl] N-[3-(3,3-difluorocyclobutyl)-1-methyl-4-propan-2-ylpyrazol-5-yl]carbamate?
The canonical SMILES for [3-(difluoromethyl)cyclobutyl] 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(C(F)F)C1.
What is the InChIKey of [3-(difluoromethyl)cyclobutyl] N-[3-(3,3-difluorocyclobutyl)-1-methyl-4-propan-2-ylpyrazol-5-yl]carbamate?
The InChIKey is ZEWKBFNWGDQZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F4N3O2/c1-8(2)12-13(10-6-17(20,21)7-10)23-24(3)15(12)22-16(25)26-11-4-9(5-11)14(18)19/h8-11,14H,4-7H2,1-3H3,(H,22,25).
What are the key properties of [3-(difluoromethyl)cyclobutyl] N-[3-(3,3-difluorocyclobutyl)-1-methyl-4-propan-2-ylpyrazol-5-yl]carbamate?
[3-(difluoromethyl)cyclobutyl] N-[3-(3,3-difluorocyclobutyl)-1-methyl-4-propan-2-ylpyrazol-5-yl]carbamate has a molecular weight of 377.38 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(difluoromethyl)cyclobutyl] N-[3-(3,3-difluorocyclobutyl)-1-methyl-4-propan-2-ylpyrazol-5-yl]carbamate is sourced from PubChem (CID 172633790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).