[1-hydroxy-4-(2-methylpyrazol-3-yl)cyclohexyl] N-tert-butylcarbamate

C15H25N3O3 — CID 118206882

IUPAC[1-hydroxy-4-(2-methylpyrazol-3-yl)cyclohexyl] N-tert-butylcarbamate
SMILESCn1nccc1C1CCC(O)(OC(=O)NC(C)(C)C)CC1
InChIInChI=1S/C15H25N3O3/c1-14(2,3)17-13(19)21-15(20)8-5-11(6-9-15)12-7-10-16-18(12)4/h7,10-11,20H,5-6,8-9H2,1-4H3,(H,17,19)
InChIKeyTXFVKFXQVAMFAJ-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.29
Rot. Bonds2

About [1-hydroxy-4-(2-methylpyrazol-3-yl)cyclohexyl] N-tert-butylcarbamate

[1-hydroxy-4-(2-methylpyrazol-3-yl)cyclohexyl] N-tert-butylcarbamate (PubChem CID 118206882) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is [1-hydroxy-4-(2-methylpyrazol-3-yl)cyclohexyl] N-tert-butylcarbamate.

Molecular Properties

Compound Name[1-hydroxy-4-(2-methylpyrazol-3-yl)cyclohexyl] N-tert-butylcarbamate
PubChem CID118206882
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name[1-hydroxy-4-(2-methylpyrazol-3-yl)cyclohexyl] N-tert-butylcarbamate
SMILESCn1nccc1C1CCC(O)(OC(=O)NC(C)(C)C)CC1
InChIInChI=1S/C15H25N3O3/c1-14(2,3)17-13(19)21-15(20)8-5-11(6-9-15)12-7-10-16-18(12)4/h7,10-11,20H,5-6,8-9H2,1-4H3,(H,17,19)
InChIKeyTXFVKFXQVAMFAJ-UHFFFAOYSA-N
XLogP2.29
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[4-[1-(Difluoromethyl)pyrazol-3-yl]cyclohexyl] carbamate
CID 175105213
4-(2-Methylpyrazol-3-yl)cyclohexan-1-ol
CID 132239607
tert-butyl N-[4-hydroxy-4-[(2-methylpyrazol-3-yl)methyl]cyclohexyl]carbamate
CID 144624846
[(1R,3S)-3-(1-tert-butylpyrazol-3-yl)cyclopentyl] N-propan-2-ylcarbamate
CID 171475012
[(1R,3S)-3-(1-tert-butylpyrazol-3-yl)cyclopentyl] N-propylcarbamate
CID 172829472
[4-[(3,5-diethylpyrazol-1-yl)methyl]cyclohexyl] N-tert-butylcarbamate
CID 174662225
ethyl 3-[(1S,3R)-3-(tert-butylcarbamoyloxy)cyclopentyl]pyrazole-1-carboxylate
CID 176150152
[3-(1-tert-butylpyrazol-3-yl)cyclopentyl] N-ethylcarbamate
CID 176898667
[3-(1-tert-butylpyrazol-3-yl)cyclopentyl] N-propan-2-ylcarbamate
CID 176898691
tert-butyl N-{3-hydroxy-2-[(1-methyl-1H-pyrazol-5-yl)methyl]propyl}carbamate
CID 91654359
tert-butyl N-[(2R)-2-(hydroxymethyl)-3-(2-methylpyrazol-3-yl)propyl]carbamate
CID 99801513
tert-butyl N-[(2S)-2-(hydroxymethyl)-3-(2-methylpyrazol-3-yl)propyl]carbamate
CID 99801514

Frequently Asked Questions

What is the IUPAC name of [1-hydroxy-4-(2-methylpyrazol-3-yl)cyclohexyl] N-tert-butylcarbamate?
The IUPAC name of [1-hydroxy-4-(2-methylpyrazol-3-yl)cyclohexyl] N-tert-butylcarbamate (CID 118206882) is [1-hydroxy-4-(2-methylpyrazol-3-yl)cyclohexyl] N-tert-butylcarbamate.
What is the SMILES notation for [1-hydroxy-4-(2-methylpyrazol-3-yl)cyclohexyl] N-tert-butylcarbamate?
The canonical SMILES for [1-hydroxy-4-(2-methylpyrazol-3-yl)cyclohexyl] N-tert-butylcarbamate is Cn1nccc1C1CCC(O)(OC(=O)NC(C)(C)C)CC1.
What is the InChIKey of [1-hydroxy-4-(2-methylpyrazol-3-yl)cyclohexyl] N-tert-butylcarbamate?
The InChIKey is TXFVKFXQVAMFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-14(2,3)17-13(19)21-15(20)8-5-11(6-9-15)12-7-10-16-18(12)4/h7,10-11,20H,5-6,8-9H2,1-4H3,(H,17,19).
What are the key properties of [1-hydroxy-4-(2-methylpyrazol-3-yl)cyclohexyl] N-tert-butylcarbamate?
[1-hydroxy-4-(2-methylpyrazol-3-yl)cyclohexyl] N-tert-butylcarbamate has a molecular weight of 295.38 g/mol, XLogP of 2.29, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-hydroxy-4-(2-methylpyrazol-3-yl)cyclohexyl] N-tert-butylcarbamate is sourced from PubChem (CID 118206882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).