[1-[4-[(3,5-diethylpyrazol-1-yl)methyl]cyclohexyl]-2-methylpropan-2-yl] carbamate

C19H33N3O2 — CID 150973312

IUPAC[1-[4-[(3,5-diethylpyrazol-1-yl)methyl]cyclohexyl]-2-methylpropan-2-yl] carbamate
SMILESCCc1cc(CC)n(CC2CCC(CC(C)(C)OC(N)=O)CC2)n1
InChIInChI=1S/C19H33N3O2/c1-5-16-11-17(6-2)22(21-16)13-15-9-7-14(8-10-15)12-19(3,4)24-18(20)23/h11,14-15H,5-10,12-13H2,1-4H3,(H2,20,23)
InChIKeyLOOPWJTTWVUSCH-UHFFFAOYSA-N
MW335.49 g/mol
LogP4.08
Rot. Bonds7

About [1-[4-[(3,5-diethylpyrazol-1-yl)methyl]cyclohexyl]-2-methylpropan-2-yl] carbamate

[1-[4-[(3,5-diethylpyrazol-1-yl)methyl]cyclohexyl]-2-methylpropan-2-yl] carbamate (PubChem CID 150973312) has the molecular formula C19H33N3O2 and a molecular weight of 335.49 g/mol. Its IUPAC name is [1-[4-[(3,5-diethylpyrazol-1-yl)methyl]cyclohexyl]-2-methylpropan-2-yl] carbamate.

Molecular Properties

Compound Name[1-[4-[(3,5-diethylpyrazol-1-yl)methyl]cyclohexyl]-2-methylpropan-2-yl] carbamate
PubChem CID150973312
Molecular FormulaC19H33N3O2
Molecular Weight335.49 g/mol
Exact Mass335.26
IUPAC Name[1-[4-[(3,5-diethylpyrazol-1-yl)methyl]cyclohexyl]-2-methylpropan-2-yl] carbamate
SMILESCCc1cc(CC)n(CC2CCC(CC(C)(C)OC(N)=O)CC2)n1
InChIInChI=1S/C19H33N3O2/c1-5-16-11-17(6-2)22(21-16)13-15-9-7-14(8-10-15)12-19(3,4)24-18(20)23/h11,14-15H,5-10,12-13H2,1-4H3,(H2,20,23)
InChIKeyLOOPWJTTWVUSCH-UHFFFAOYSA-N
XLogP4.08
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[4-[(3,5-diethylpyrazol-1-yl)methyl]cyclohexyl]-2-methylpropan-2-yl] carbamate?
The IUPAC name of [1-[4-[(3,5-diethylpyrazol-1-yl)methyl]cyclohexyl]-2-methylpropan-2-yl] carbamate (CID 150973312) is [1-[4-[(3,5-diethylpyrazol-1-yl)methyl]cyclohexyl]-2-methylpropan-2-yl] carbamate.
What is the SMILES notation for [1-[4-[(3,5-diethylpyrazol-1-yl)methyl]cyclohexyl]-2-methylpropan-2-yl] carbamate?
The canonical SMILES for [1-[4-[(3,5-diethylpyrazol-1-yl)methyl]cyclohexyl]-2-methylpropan-2-yl] carbamate is CCc1cc(CC)n(CC2CCC(CC(C)(C)OC(N)=O)CC2)n1.
What is the InChIKey of [1-[4-[(3,5-diethylpyrazol-1-yl)methyl]cyclohexyl]-2-methylpropan-2-yl] carbamate?
The InChIKey is LOOPWJTTWVUSCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O2/c1-5-16-11-17(6-2)22(21-16)13-15-9-7-14(8-10-15)12-19(3,4)24-18(20)23/h11,14-15H,5-10,12-13H2,1-4H3,(H2,20,23).
What are the key properties of [1-[4-[(3,5-diethylpyrazol-1-yl)methyl]cyclohexyl]-2-methylpropan-2-yl] carbamate?
[1-[4-[(3,5-diethylpyrazol-1-yl)methyl]cyclohexyl]-2-methylpropan-2-yl] carbamate has a molecular weight of 335.49 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-[(3,5-diethylpyrazol-1-yl)methyl]cyclohexyl]-2-methylpropan-2-yl] carbamate is sourced from PubChem (CID 150973312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).