[(2R)-1-[3-(trifluoromethyl)pyrazol-1-yl]butan-2-yl] N-(2,4-difluorophenyl)carbamate

C15H14F5N3O2 — CID 44589741

IUPAC[(2R)-1-[3-(trifluoromethyl)pyrazol-1-yl]butan-2-yl] N-(2,4-difluorophenyl)carbamate
SMILESCC[C@H](Cn1ccc(C(F)(F)F)n1)OC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C15H14F5N3O2/c1-2-10(8-23-6-5-13(22-23)15(18,19)20)25-14(24)21-12-4-3-9(16)7-11(12)17/h3-7,10H,2,8H2,1H3,(H,21,24)/t10-/m1/s1
InChIKeyFAQARLHHEFHRBT-SNVBAGLBSA-N
MW363.29 g/mol
LogP4.21
Rot. Bonds5

About [(2R)-1-[3-(trifluoromethyl)pyrazol-1-yl]butan-2-yl] N-(2,4-difluorophenyl)carbamate

[(2R)-1-[3-(trifluoromethyl)pyrazol-1-yl]butan-2-yl] N-(2,4-difluorophenyl)carbamate (PubChem CID 44589741) has the molecular formula C15H14F5N3O2 and a molecular weight of 363.29 g/mol. Its IUPAC name is [(2R)-1-[3-(trifluoromethyl)pyrazol-1-yl]butan-2-yl] N-(2,4-difluorophenyl)carbamate.

Molecular Properties

Compound Name[(2R)-1-[3-(trifluoromethyl)pyrazol-1-yl]butan-2-yl] N-(2,4-difluorophenyl)carbamate
PubChem CID44589741
Molecular FormulaC15H14F5N3O2
Molecular Weight363.29 g/mol
Exact Mass363.10
IUPAC Name[(2R)-1-[3-(trifluoromethyl)pyrazol-1-yl]butan-2-yl] N-(2,4-difluorophenyl)carbamate
SMILESCC[C@H](Cn1ccc(C(F)(F)F)n1)OC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C15H14F5N3O2/c1-2-10(8-23-6-5-13(22-23)15(18,19)20)25-14(24)21-12-4-3-9(16)7-11(12)17/h3-7,10H,2,8H2,1H3,(H,21,24)/t10-/m1/s1
InChIKeyFAQARLHHEFHRBT-SNVBAGLBSA-N
XLogP4.21
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.29
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,1,1,3,3,3-Hexafluoropropan-2-yl 3-(1-phenylpyrazol-3-yl)azetidine-1-carboxylate
CID 137635585
1,1,1,3,3,3-Hexafluoropropan-2-yl 3-[1-(3,4-difluorophenyl)pyrazol-3-yl]azetidine-1-carboxylate
CID 137659198
Carbamic acid, N-(2,4-difluorophenyl)-, (1R)-2-[3,5-bis(1-methylethyl)-1H-pyrazol-1-yl]-1-methylethyl ester
CID 44589661
[(2R)-1-[3,5-di(propan-2-yl)pyrazol-1-yl]butan-2-yl] N-(2,4-difluorophenyl)carbamate
CID 44589662
[(2R)-1-[3,5-di(propan-2-yl)pyrazol-1-yl]-3-methylbutan-2-yl] N-(2,4-difluorophenyl)carbamate
CID 44589700
[(2R)-1-[5-ethyl-3-(trifluoromethyl)pyrazol-1-yl]-3-methylbutan-2-yl] N-(2,4-difluorophenyl)carbamate
CID 44589776
[(2R)-1-[5-(cyclopenten-1-yl)-3-(trifluoromethyl)pyrazol-1-yl]butan-2-yl] N-(2,4-difluorophenyl)carbamate
CID 44589778
[(2R)-1-[5-cyclopentyl-3-(trifluoromethyl)pyrazol-1-yl]butan-2-yl] N-(2,4-difluorophenyl)carbamate
CID 44589779
[(2R)-1-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]butan-2-yl] N-(2,4-difluorophenyl)carbamate
CID 44589780
[(2R)-1-[5-cyclohexyl-3-(trifluoromethyl)pyrazol-1-yl]butan-2-yl] N-(2,4-difluorophenyl)carbamate
CID 44589812
[1-[3,5-di(propan-2-yl)pyrazol-1-yl]-3-methylbutan-2-yl] N-phenylcarbamate
CID 44589816
[(2R)-1-[3,5-di(propan-2-yl)pyrazol-1-yl]-3-methylbutan-2-yl] N-[4-(trifluoromethyl)phenyl]carbamate
CID 44589915

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[3-(trifluoromethyl)pyrazol-1-yl]butan-2-yl] N-(2,4-difluorophenyl)carbamate?
The IUPAC name of [(2R)-1-[3-(trifluoromethyl)pyrazol-1-yl]butan-2-yl] N-(2,4-difluorophenyl)carbamate (CID 44589741) is [(2R)-1-[3-(trifluoromethyl)pyrazol-1-yl]butan-2-yl] N-(2,4-difluorophenyl)carbamate.
What is the SMILES notation for [(2R)-1-[3-(trifluoromethyl)pyrazol-1-yl]butan-2-yl] N-(2,4-difluorophenyl)carbamate?
The canonical SMILES for [(2R)-1-[3-(trifluoromethyl)pyrazol-1-yl]butan-2-yl] N-(2,4-difluorophenyl)carbamate is CC[C@H](Cn1ccc(C(F)(F)F)n1)OC(=O)Nc1ccc(F)cc1F.
What is the InChIKey of [(2R)-1-[3-(trifluoromethyl)pyrazol-1-yl]butan-2-yl] N-(2,4-difluorophenyl)carbamate?
The InChIKey is FAQARLHHEFHRBT-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H14F5N3O2/c1-2-10(8-23-6-5-13(22-23)15(18,19)20)25-14(24)21-12-4-3-9(16)7-11(12)17/h3-7,10H,2,8H2,1H3,(H,21,24)/t10-/m1/s1.
What are the key properties of [(2R)-1-[3-(trifluoromethyl)pyrazol-1-yl]butan-2-yl] N-(2,4-difluorophenyl)carbamate?
[(2R)-1-[3-(trifluoromethyl)pyrazol-1-yl]butan-2-yl] N-(2,4-difluorophenyl)carbamate has a molecular weight of 363.29 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[3-(trifluoromethyl)pyrazol-1-yl]butan-2-yl] N-(2,4-difluorophenyl)carbamate is sourced from PubChem (CID 44589741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).