[2-(5-amino-1H-pyrazol-4-yl)-1-cyclohexylethyl] formate

C12H19N3O2 — CID 174536091

IUPAC[2-(5-amino-1H-pyrazol-4-yl)-1-cyclohexylethyl] formate
SMILESNc1[nH]ncc1CC(OC=O)C1CCCCC1
InChIInChI=1S/C12H19N3O2/c13-12-10(7-14-15-12)6-11(17-8-16)9-4-2-1-3-5-9/h7-9,11H,1-6H2,(H3,13,14,15)
InChIKeyLMDCCHPVEWGPES-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.66
Rot. Bonds5

About [2-(5-amino-1H-pyrazol-4-yl)-1-cyclohexylethyl] formate

[2-(5-amino-1H-pyrazol-4-yl)-1-cyclohexylethyl] formate (PubChem CID 174536091) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is [2-(5-amino-1H-pyrazol-4-yl)-1-cyclohexylethyl] formate.

Molecular Properties

Compound Name[2-(5-amino-1H-pyrazol-4-yl)-1-cyclohexylethyl] formate
PubChem CID174536091
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name[2-(5-amino-1H-pyrazol-4-yl)-1-cyclohexylethyl] formate
SMILESNc1[nH]ncc1CC(OC=O)C1CCCCC1
InChIInChI=1S/C12H19N3O2/c13-12-10(7-14-15-12)6-11(17-8-16)9-4-2-1-3-5-9/h7-9,11H,1-6H2,(H3,13,14,15)
InChIKeyLMDCCHPVEWGPES-UHFFFAOYSA-N
XLogP1.66
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(5-amino-1H-pyrazol-4-yl)-1-cyclohexylethyl] formate?
The IUPAC name of [2-(5-amino-1H-pyrazol-4-yl)-1-cyclohexylethyl] formate (CID 174536091) is [2-(5-amino-1H-pyrazol-4-yl)-1-cyclohexylethyl] formate.
What is the SMILES notation for [2-(5-amino-1H-pyrazol-4-yl)-1-cyclohexylethyl] formate?
The canonical SMILES for [2-(5-amino-1H-pyrazol-4-yl)-1-cyclohexylethyl] formate is Nc1[nH]ncc1CC(OC=O)C1CCCCC1.
What is the InChIKey of [2-(5-amino-1H-pyrazol-4-yl)-1-cyclohexylethyl] formate?
The InChIKey is LMDCCHPVEWGPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c13-12-10(7-14-15-12)6-11(17-8-16)9-4-2-1-3-5-9/h7-9,11H,1-6H2,(H3,13,14,15).
What are the key properties of [2-(5-amino-1H-pyrazol-4-yl)-1-cyclohexylethyl] formate?
[2-(5-amino-1H-pyrazol-4-yl)-1-cyclohexylethyl] formate has a molecular weight of 237.30 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-amino-1H-pyrazol-4-yl)-1-cyclohexylethyl] formate is sourced from PubChem (CID 174536091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).