[(2R)-1-[3,5-di(propan-2-yl)pyrazol-1-yl]-3-methylbutan-2-yl] N-cyclohexylcarbamate

C21H37N3O2 — CID 44589815

IUPAC[(2R)-1-[3,5-di(propan-2-yl)pyrazol-1-yl]-3-methylbutan-2-yl] N-cyclohexylcarbamate
SMILESCC(C)c1cc(C(C)C)n(C[C@H](OC(=O)NC2CCCCC2)C(C)C)n1
InChIInChI=1S/C21H37N3O2/c1-14(2)18-12-19(15(3)4)24(23-18)13-20(16(5)6)26-21(25)22-17-10-8-7-9-11-17/h12,14-17,20H,7-11,13H2,1-6H3,(H,22,25)/t20-/m0/s1
InChIKeyOMEQIVGEPIKRCD-FQEVSTJZSA-N
MW363.55 g/mol
LogP5.21
Rot. Bonds7

About [(2R)-1-[3,5-di(propan-2-yl)pyrazol-1-yl]-3-methylbutan-2-yl] N-cyclohexylcarbamate

[(2R)-1-[3,5-di(propan-2-yl)pyrazol-1-yl]-3-methylbutan-2-yl] N-cyclohexylcarbamate (PubChem CID 44589815) has the molecular formula C21H37N3O2 and a molecular weight of 363.55 g/mol. Its IUPAC name is [(2R)-1-[3,5-di(propan-2-yl)pyrazol-1-yl]-3-methylbutan-2-yl] N-cyclohexylcarbamate.

Molecular Properties

Compound Name[(2R)-1-[3,5-di(propan-2-yl)pyrazol-1-yl]-3-methylbutan-2-yl] N-cyclohexylcarbamate
PubChem CID44589815
Molecular FormulaC21H37N3O2
Molecular Weight363.55 g/mol
Exact Mass363.29
IUPAC Name[(2R)-1-[3,5-di(propan-2-yl)pyrazol-1-yl]-3-methylbutan-2-yl] N-cyclohexylcarbamate
SMILESCC(C)c1cc(C(C)C)n(C[C@H](OC(=O)NC2CCCCC2)C(C)C)n1
InChIInChI=1S/C21H37N3O2/c1-14(2)18-12-19(15(3)4)24(23-18)13-20(16(5)6)26-21(25)22-17-10-8-7-9-11-17/h12,14-17,20H,7-11,13H2,1-6H3,(H,22,25)/t20-/m0/s1
InChIKeyOMEQIVGEPIKRCD-FQEVSTJZSA-N
XLogP5.21
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.55
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
[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-methylphenyl)carbamate
CID 44589859
[(2R)-1-[3,5-di(propan-2-yl)pyrazol-1-yl]-3-methylbutan-2-yl] N-(3-methylphenyl)carbamate
CID 44589860
[(2R,3R)-3-[3,5-di(propan-2-yl)pyrazol-1-yl]butan-2-yl] N-(2,4-difluorophenyl)carbamate
CID 44589703
[(2R,3S)-3-[3,5-di(propan-2-yl)pyrazol-1-yl]butan-2-yl] N-(2,4-difluorophenyl)carbamate
CID 44589663
[(2S)-1-[3,5-di(propan-2-yl)pyrazol-1-yl]-3-methylbutan-2-yl] N-(2,4-difluorophenyl)carbamate
CID 44589701
[(2R)-1-[3,5-di(propan-2-yl)pyrazol-1-yl]-3-methylbutan-2-yl] N-(2-methylphenyl)carbamate
CID 44589861
ethyl (2-(5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)ethyl)carbamate
CID 71807721
[(2R,4S,5R)-5-(3-cyclohexyl-1-methylpyrazol-5-yl)-1-azabicyclo[2.2.2]octan-2-yl]methyl N-propan-2-ylcarbamate
CID 40779145

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[3,5-di(propan-2-yl)pyrazol-1-yl]-3-methylbutan-2-yl] N-cyclohexylcarbamate?
The IUPAC name of [(2R)-1-[3,5-di(propan-2-yl)pyrazol-1-yl]-3-methylbutan-2-yl] N-cyclohexylcarbamate (CID 44589815) is [(2R)-1-[3,5-di(propan-2-yl)pyrazol-1-yl]-3-methylbutan-2-yl] N-cyclohexylcarbamate.
What is the SMILES notation for [(2R)-1-[3,5-di(propan-2-yl)pyrazol-1-yl]-3-methylbutan-2-yl] N-cyclohexylcarbamate?
The canonical SMILES for [(2R)-1-[3,5-di(propan-2-yl)pyrazol-1-yl]-3-methylbutan-2-yl] N-cyclohexylcarbamate is CC(C)c1cc(C(C)C)n(C[C@H](OC(=O)NC2CCCCC2)C(C)C)n1.
What is the InChIKey of [(2R)-1-[3,5-di(propan-2-yl)pyrazol-1-yl]-3-methylbutan-2-yl] N-cyclohexylcarbamate?
The InChIKey is OMEQIVGEPIKRCD-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H37N3O2/c1-14(2)18-12-19(15(3)4)24(23-18)13-20(16(5)6)26-21(25)22-17-10-8-7-9-11-17/h12,14-17,20H,7-11,13H2,1-6H3,(H,22,25)/t20-/m0/s1.
What are the key properties of [(2R)-1-[3,5-di(propan-2-yl)pyrazol-1-yl]-3-methylbutan-2-yl] N-cyclohexylcarbamate?
[(2R)-1-[3,5-di(propan-2-yl)pyrazol-1-yl]-3-methylbutan-2-yl] N-cyclohexylcarbamate has a molecular weight of 363.55 g/mol, XLogP of 5.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[3,5-di(propan-2-yl)pyrazol-1-yl]-3-methylbutan-2-yl] N-cyclohexylcarbamate is sourced from PubChem (CID 44589815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).