methyl N-[4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]carbamate

C15H22F3N3O2 — CID 134331630

IUPACmethyl N-[4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]carbamate
SMILESCOC(=O)NC1CCC(n2nc(C(F)(F)F)cc2C(C)C)CC1
InChIInChI=1S/C15H22F3N3O2/c1-9(2)12-8-13(15(16,17)18)20-21(12)11-6-4-10(5-7-11)19-14(22)23-3/h8-11H,4-7H2,1-3H3,(H,19,22)
InChIKeyHKIGBMCYJSDOBR-UHFFFAOYSA-N
MW333.35 g/mol
LogP3.87
Rot. Bonds3

About methyl N-[4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]carbamate

methyl N-[4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]carbamate (PubChem CID 134331630) has the molecular formula C15H22F3N3O2 and a molecular weight of 333.35 g/mol. Its IUPAC name is methyl N-[4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]carbamate
PubChem CID134331630
Molecular FormulaC15H22F3N3O2
Molecular Weight333.35 g/mol
Exact Mass333.17
IUPAC Namemethyl N-[4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]carbamate
SMILESCOC(=O)NC1CCC(n2nc(C(F)(F)F)cc2C(C)C)CC1
InChIInChI=1S/C15H22F3N3O2/c1-9(2)12-8-13(15(16,17)18)20-21(12)11-6-4-10(5-7-11)19-14(22)23-3/h8-11H,4-7H2,1-3H3,(H,19,22)
InChIKeyHKIGBMCYJSDOBR-UHFFFAOYSA-N
XLogP3.87
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-1-[3,5-di(propan-2-yl)pyrazol-1-yl]-3-methylbutan-2-yl] N-cyclohexylcarbamate
CID 44589815
ethyl (2-(5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)ethyl)carbamate
CID 71807721
ethyl ((5-cyclopropyl-1-methyl-1H-pyrazol-3-yl)methyl)carbamate
CID 71808536
2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(propan-2-yl)acetamide
CID 4119687
N-Cyclohexyl-2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-YL]acetamide
CID 4770086
N-cyclohexyl-3-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanamide
CID 4771027
1-Cyclohexyl-3-[2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]urea
CID 17026395
tert-butyl N-[4-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]cyclohexyl]carbamate
CID 90794819
Methyl 2-methyl-4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxylate
CID 122633596
N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]acetamide
CID 122633598
methyl N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]carbamate
CID 122633603
methyl N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentyl]carbamate
CID 122633604

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]carbamate?
The IUPAC name of methyl N-[4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]carbamate (CID 134331630) is methyl N-[4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]carbamate.
What is the SMILES notation for methyl N-[4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]carbamate?
The canonical SMILES for methyl N-[4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]carbamate is COC(=O)NC1CCC(n2nc(C(F)(F)F)cc2C(C)C)CC1.
What is the InChIKey of methyl N-[4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]carbamate?
The InChIKey is HKIGBMCYJSDOBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N3O2/c1-9(2)12-8-13(15(16,17)18)20-21(12)11-6-4-10(5-7-11)19-14(22)23-3/h8-11H,4-7H2,1-3H3,(H,19,22).
What are the key properties of methyl N-[4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]carbamate?
methyl N-[4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]carbamate has a molecular weight of 333.35 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]carbamate is sourced from PubChem (CID 134331630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).