tert-butyl N-[4-[(3,5-diethylpyrazol-1-yl)methyl]cyclohexyl]carbamate

C19H33N3O2 — CID 67363805

IUPACtert-butyl N-[4-[(3,5-diethylpyrazol-1-yl)methyl]cyclohexyl]carbamate
SMILESCCc1cc(CC)n(CC2CCC(NC(=O)OC(C)(C)C)CC2)n1
InChIInChI=1S/C19H33N3O2/c1-6-15-12-17(7-2)22(21-15)13-14-8-10-16(11-9-14)20-18(23)24-19(3,4)5/h12,14,16H,6-11,13H2,1-5H3,(H,20,23)
InChIKeyLOKBVVBVIVMDNT-UHFFFAOYSA-N
MW335.49 g/mol
LogP4.09
Rot. Bonds5

About tert-butyl N-[4-[(3,5-diethylpyrazol-1-yl)methyl]cyclohexyl]carbamate

tert-butyl N-[4-[(3,5-diethylpyrazol-1-yl)methyl]cyclohexyl]carbamate (PubChem CID 67363805) has the molecular formula C19H33N3O2 and a molecular weight of 335.49 g/mol. Its IUPAC name is tert-butyl N-[4-[(3,5-diethylpyrazol-1-yl)methyl]cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[(3,5-diethylpyrazol-1-yl)methyl]cyclohexyl]carbamate
PubChem CID67363805
Molecular FormulaC19H33N3O2
Molecular Weight335.49 g/mol
Exact Mass335.26
IUPAC Nametert-butyl N-[4-[(3,5-diethylpyrazol-1-yl)methyl]cyclohexyl]carbamate
SMILESCCc1cc(CC)n(CC2CCC(NC(=O)OC(C)(C)C)CC2)n1
InChIInChI=1S/C19H33N3O2/c1-6-15-12-17(7-2)22(21-15)13-14-8-10-16(11-9-14)20-18(23)24-19(3,4)5/h12,14,16H,6-11,13H2,1-5H3,(H,20,23)
InChIKeyLOKBVVBVIVMDNT-UHFFFAOYSA-N
XLogP4.09
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[(3,5-diethylpyrazol-1-yl)methyl]cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[4-[(3,5-diethylpyrazol-1-yl)methyl]cyclohexyl]carbamate (CID 67363805) is tert-butyl N-[4-[(3,5-diethylpyrazol-1-yl)methyl]cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[(3,5-diethylpyrazol-1-yl)methyl]cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[(3,5-diethylpyrazol-1-yl)methyl]cyclohexyl]carbamate is CCc1cc(CC)n(CC2CCC(NC(=O)OC(C)(C)C)CC2)n1.
What is the InChIKey of tert-butyl N-[4-[(3,5-diethylpyrazol-1-yl)methyl]cyclohexyl]carbamate?
The InChIKey is LOKBVVBVIVMDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O2/c1-6-15-12-17(7-2)22(21-15)13-14-8-10-16(11-9-14)20-18(23)24-19(3,4)5/h12,14,16H,6-11,13H2,1-5H3,(H,20,23).
What are the key properties of tert-butyl N-[4-[(3,5-diethylpyrazol-1-yl)methyl]cyclohexyl]carbamate?
tert-butyl N-[4-[(3,5-diethylpyrazol-1-yl)methyl]cyclohexyl]carbamate has a molecular weight of 335.49 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[(3,5-diethylpyrazol-1-yl)methyl]cyclohexyl]carbamate is sourced from PubChem (CID 67363805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).