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

C19H33N3O2 — CID 174662225

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

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

[4-[(3,5-diethylpyrazol-1-yl)methyl]cyclohexyl] N-tert-butylcarbamate (PubChem CID 174662225) has the molecular formula C19H33N3O2 and a molecular weight of 335.49 g/mol. Its IUPAC name is [4-[(3,5-diethylpyrazol-1-yl)methyl]cyclohexyl] N-tert-butylcarbamate.

Molecular Properties

Compound Name[4-[(3,5-diethylpyrazol-1-yl)methyl]cyclohexyl] N-tert-butylcarbamate
PubChem CID174662225
Molecular FormulaC19H33N3O2
Molecular Weight335.49 g/mol
Exact Mass335.26
IUPAC Name[4-[(3,5-diethylpyrazol-1-yl)methyl]cyclohexyl] N-tert-butylcarbamate
SMILESCCc1cc(CC)n(CC2CCC(OC(=O)NC(C)(C)C)CC2)n1
InChIInChI=1S/C19H33N3O2/c1-6-15-12-16(7-2)22(21-15)13-14-8-10-17(11-9-14)24-18(23)20-19(3,4)5/h12,14,17H,6-11,13H2,1-5H3,(H,20,23)
InChIKeyVUIVLGUNTRJWOA-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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Related Compounds

[(2R)-1-[3,5-di(propan-2-yl)pyrazol-1-yl]-3-methylbutan-2-yl] N-cyclohexylcarbamate
CID 44589815
tert-butyl N-[1-[5-butan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-yl]carbamate
CID 178058063
Trans-[4-(3,5-Diethyl-pyrazol-1-ylmethyl)-cyclohexyl]-carbamic acid tert-butyl ester
CID 67363805
[1-hydroxy-4-(2-methylpyrazol-3-yl)cyclohexyl] N-tert-butylcarbamate
CID 118206882
[1-[4-[(3,5-Diethylpyrazol-1-yl)methyl]cyclohexyl]-2-methylpropan-2-yl] carbamate
CID 150973312
methyl N-[3-[3-[(2S)-1-cyclopropylpropan-2-yl]-1-(oxan-4-yl)pyrazol-5-yl]propyl]carbamate
CID 158995532
[(1R,3S)-3-(1-tert-butyl-5-methylpyrazol-3-yl)cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
CID 168200062
[3-(1-tert-butyl-5-propylpyrazol-3-yl)cyclopentyl] N-tert-butylcarbamate
CID 168200158
[(1R,3S)-3-(1-tert-butyl-5-ethylpyrazol-3-yl)cyclopentyl] N-tert-butylcarbamate
CID 168200370
4-(1-tert-butyl-5-methylpyrazol-3-yl)pentan-2-yl N-propan-2-ylcarbamate
CID 177150519
4-[[(1,3-Diethylpyrazol-5-yl)methylamino]methyl]cyclohexan-1-ol
CID 106132978
4-[[(3-Ethyl-1-methylpyrazol-5-yl)methylamino]methyl]cyclohexan-1-ol
CID 106133674

Frequently Asked Questions

What is the IUPAC name of [4-[(3,5-diethylpyrazol-1-yl)methyl]cyclohexyl] N-tert-butylcarbamate?
The IUPAC name of [4-[(3,5-diethylpyrazol-1-yl)methyl]cyclohexyl] N-tert-butylcarbamate (CID 174662225) is [4-[(3,5-diethylpyrazol-1-yl)methyl]cyclohexyl] N-tert-butylcarbamate.
What is the SMILES notation for [4-[(3,5-diethylpyrazol-1-yl)methyl]cyclohexyl] N-tert-butylcarbamate?
The canonical SMILES for [4-[(3,5-diethylpyrazol-1-yl)methyl]cyclohexyl] N-tert-butylcarbamate is CCc1cc(CC)n(CC2CCC(OC(=O)NC(C)(C)C)CC2)n1.
What is the InChIKey of [4-[(3,5-diethylpyrazol-1-yl)methyl]cyclohexyl] N-tert-butylcarbamate?
The InChIKey is VUIVLGUNTRJWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O2/c1-6-15-12-16(7-2)22(21-15)13-14-8-10-17(11-9-14)24-18(23)20-19(3,4)5/h12,14,17H,6-11,13H2,1-5H3,(H,20,23).
What are the key properties of [4-[(3,5-diethylpyrazol-1-yl)methyl]cyclohexyl] N-tert-butylcarbamate?
[4-[(3,5-diethylpyrazol-1-yl)methyl]cyclohexyl] N-tert-butylcarbamate 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 [4-[(3,5-diethylpyrazol-1-yl)methyl]cyclohexyl] N-tert-butylcarbamate is sourced from PubChem (CID 174662225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).