[(2R)-1-(3,5-dimethylpyrazol-1-yl)butan-2-yl] N-(2,4-difluorophenyl)carbamate

C16H19F2N3O2 — CID 44589738

IUPAC[(2R)-1-(3,5-dimethylpyrazol-1-yl)butan-2-yl] N-(2,4-difluorophenyl)carbamate
SMILESCC[C@H](Cn1nc(C)cc1C)OC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C16H19F2N3O2/c1-4-13(9-21-11(3)7-10(2)20-21)23-16(22)19-15-6-5-12(17)8-14(15)18/h5-8,13H,4,9H2,1-3H3,(H,19,22)/t13-/m1/s1
InChIKeyGXAFHRQZEXKMKM-CYBMUJFWSA-N
MW323.34 g/mol
LogP3.81
Rot. Bonds5

About [(2R)-1-(3,5-dimethylpyrazol-1-yl)butan-2-yl] N-(2,4-difluorophenyl)carbamate

[(2R)-1-(3,5-dimethylpyrazol-1-yl)butan-2-yl] N-(2,4-difluorophenyl)carbamate (PubChem CID 44589738) has the molecular formula C16H19F2N3O2 and a molecular weight of 323.34 g/mol. Its IUPAC name is [(2R)-1-(3,5-dimethylpyrazol-1-yl)butan-2-yl] N-(2,4-difluorophenyl)carbamate.

Molecular Properties

Compound Name[(2R)-1-(3,5-dimethylpyrazol-1-yl)butan-2-yl] N-(2,4-difluorophenyl)carbamate
PubChem CID44589738
Molecular FormulaC16H19F2N3O2
Molecular Weight323.34 g/mol
Exact Mass323.14
IUPAC Name[(2R)-1-(3,5-dimethylpyrazol-1-yl)butan-2-yl] N-(2,4-difluorophenyl)carbamate
SMILESCC[C@H](Cn1nc(C)cc1C)OC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C16H19F2N3O2/c1-4-13(9-21-11(3)7-10(2)20-21)23-16(22)19-15-6-5-12(17)8-14(15)18/h5-8,13H,4,9H2,1-3H3,(H,19,22)/t13-/m1/s1
InChIKeyGXAFHRQZEXKMKM-CYBMUJFWSA-N
XLogP3.81
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.34
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,5-dimethyl-1H-pyrazol-1-yl)-N-(3-fluorophenyl)propanamide
CID 16193708
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
[(1R,2R)-2-[3,5-di(propan-2-yl)pyrazol-1-yl]cyclopentyl] N-(2,4-difluorophenyl)carbamate
CID 44589664
[(2R)-1-[3,5-di(propan-2-yl)pyrazol-1-yl]-3-methylbutan-2-yl] N-(2,4-difluorophenyl)carbamate
CID 44589700
[(2R)-1-[3-(trifluoromethyl)pyrazol-1-yl]butan-2-yl] N-(2,4-difluorophenyl)carbamate
CID 44589741
[(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

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(3,5-dimethylpyrazol-1-yl)butan-2-yl] N-(2,4-difluorophenyl)carbamate?
The IUPAC name of [(2R)-1-(3,5-dimethylpyrazol-1-yl)butan-2-yl] N-(2,4-difluorophenyl)carbamate (CID 44589738) is [(2R)-1-(3,5-dimethylpyrazol-1-yl)butan-2-yl] N-(2,4-difluorophenyl)carbamate.
What is the SMILES notation for [(2R)-1-(3,5-dimethylpyrazol-1-yl)butan-2-yl] N-(2,4-difluorophenyl)carbamate?
The canonical SMILES for [(2R)-1-(3,5-dimethylpyrazol-1-yl)butan-2-yl] N-(2,4-difluorophenyl)carbamate is CC[C@H](Cn1nc(C)cc1C)OC(=O)Nc1ccc(F)cc1F.
What is the InChIKey of [(2R)-1-(3,5-dimethylpyrazol-1-yl)butan-2-yl] N-(2,4-difluorophenyl)carbamate?
The InChIKey is GXAFHRQZEXKMKM-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H19F2N3O2/c1-4-13(9-21-11(3)7-10(2)20-21)23-16(22)19-15-6-5-12(17)8-14(15)18/h5-8,13H,4,9H2,1-3H3,(H,19,22)/t13-/m1/s1.
What are the key properties of [(2R)-1-(3,5-dimethylpyrazol-1-yl)butan-2-yl] N-(2,4-difluorophenyl)carbamate?
[(2R)-1-(3,5-dimethylpyrazol-1-yl)butan-2-yl] N-(2,4-difluorophenyl)carbamate has a molecular weight of 323.34 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(3,5-dimethylpyrazol-1-yl)butan-2-yl] N-(2,4-difluorophenyl)carbamate is sourced from PubChem (CID 44589738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).