[cyclobutyl-(5-cyclopropyl-1H-pyrazol-3-yl)methyl] formate

C12H16N2O2 — CID 174937217

IUPAC[cyclobutyl-(5-cyclopropyl-1H-pyrazol-3-yl)methyl] formate
SMILESO=COC(c1cc(C2CC2)[nH]n1)C1CCC1
InChIInChI=1S/C12H16N2O2/c15-7-16-12(9-2-1-3-9)11-6-10(13-14-11)8-4-5-8/h6-9,12H,1-5H2,(H,13,14)
InChIKeyPSRZUBSRIRJEFE-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.30
Rot. Bonds5

About [cyclobutyl-(5-cyclopropyl-1H-pyrazol-3-yl)methyl] formate

[cyclobutyl-(5-cyclopropyl-1H-pyrazol-3-yl)methyl] formate (PubChem CID 174937217) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is [cyclobutyl-(5-cyclopropyl-1H-pyrazol-3-yl)methyl] formate.

Molecular Properties

Compound Name[cyclobutyl-(5-cyclopropyl-1H-pyrazol-3-yl)methyl] formate
PubChem CID174937217
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name[cyclobutyl-(5-cyclopropyl-1H-pyrazol-3-yl)methyl] formate
SMILESO=COC(c1cc(C2CC2)[nH]n1)C1CCC1
InChIInChI=1S/C12H16N2O2/c15-7-16-12(9-2-1-3-9)11-6-10(13-14-11)8-4-5-8/h6-9,12H,1-5H2,(H,13,14)
InChIKeyPSRZUBSRIRJEFE-UHFFFAOYSA-N
XLogP2.30
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-cyclopropyl-5-(1,4-dioxaspiro[4.5]decan-3-yl)-1H-pyrazole
CID 155559284
3-(1,1-difluoroethyl)-5-(4-methyloxan-2-yl)-1H-pyrazole
CID 126763985
5-Isopropyl-3-(methoxymethyl)-1H-pyrazole
CID 45095933
3-(4,4-dimethyloxan-2-yl)-5-methyl-1H-pyrazole;methane
CID 145288994
3-tert-butyl-5-(oxolan-2-yl)-1H-pyrazole
CID 145744954
5-[(3S)-3-iodooxan-2-yl]-3-propan-2-yl-1H-pyrazole
CID 170161012
2-[5-(methoxymethyl)-1H-pyrazol-3-yl]propyl formate
CID 174379093
[1-(3-tert-butyl-1H-pyrazol-5-yl)-3-cyclobutylpropan-2-yl] formate
CID 174608550
1-(5-ethyl-1H-pyrazol-3-yl)ethyl formate
CID 174670534
(3-cyclopropyl-1H-pyrazol-5-yl)methyl formate
CID 174936218
5-cyclopropyl-3-(diethoxymethyl)-1H-pyrazole
CID 80743466
5-cyclohexyl-3-(diethoxymethyl)-1H-pyrazole
CID 81173792

Frequently Asked Questions

What is the IUPAC name of [cyclobutyl-(5-cyclopropyl-1H-pyrazol-3-yl)methyl] formate?
The IUPAC name of [cyclobutyl-(5-cyclopropyl-1H-pyrazol-3-yl)methyl] formate (CID 174937217) is [cyclobutyl-(5-cyclopropyl-1H-pyrazol-3-yl)methyl] formate.
What is the SMILES notation for [cyclobutyl-(5-cyclopropyl-1H-pyrazol-3-yl)methyl] formate?
The canonical SMILES for [cyclobutyl-(5-cyclopropyl-1H-pyrazol-3-yl)methyl] formate is O=COC(c1cc(C2CC2)[nH]n1)C1CCC1.
What is the InChIKey of [cyclobutyl-(5-cyclopropyl-1H-pyrazol-3-yl)methyl] formate?
The InChIKey is PSRZUBSRIRJEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c15-7-16-12(9-2-1-3-9)11-6-10(13-14-11)8-4-5-8/h6-9,12H,1-5H2,(H,13,14).
What are the key properties of [cyclobutyl-(5-cyclopropyl-1H-pyrazol-3-yl)methyl] formate?
[cyclobutyl-(5-cyclopropyl-1H-pyrazol-3-yl)methyl] formate has a molecular weight of 220.27 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [cyclobutyl-(5-cyclopropyl-1H-pyrazol-3-yl)methyl] formate is sourced from PubChem (CID 174937217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).