[cyclopropyl(1H-pyrazol-4-yl)methyl] formate

C8H10N2O2 — CID 174599588

IUPAC[cyclopropyl(1H-pyrazol-4-yl)methyl] formate
SMILESO=COC(c1cn[nH]c1)C1CC1
InChIInChI=1S/C8H10N2O2/c11-5-12-8(6-1-2-6)7-3-9-10-4-7/h3-6,8H,1-2H2,(H,9,10)
InChIKeyDRWFCKATWXMXSU-UHFFFAOYSA-N
MW166.18 g/mol
LogP1.03
Rot. Bonds4

About [cyclopropyl(1H-pyrazol-4-yl)methyl] formate

[cyclopropyl(1H-pyrazol-4-yl)methyl] formate (PubChem CID 174599588) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is [cyclopropyl(1H-pyrazol-4-yl)methyl] formate.

Molecular Properties

Compound Name[cyclopropyl(1H-pyrazol-4-yl)methyl] formate
PubChem CID174599588
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name[cyclopropyl(1H-pyrazol-4-yl)methyl] formate
SMILESO=COC(c1cn[nH]c1)C1CC1
InChIInChI=1S/C8H10N2O2/c11-5-12-8(6-1-2-6)7-3-9-10-4-7/h3-6,8H,1-2H2,(H,9,10)
InChIKeyDRWFCKATWXMXSU-UHFFFAOYSA-N
XLogP1.03
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [cyclopropyl(1H-pyrazol-4-yl)methyl] formate?
The IUPAC name of [cyclopropyl(1H-pyrazol-4-yl)methyl] formate (CID 174599588) is [cyclopropyl(1H-pyrazol-4-yl)methyl] formate.
What is the SMILES notation for [cyclopropyl(1H-pyrazol-4-yl)methyl] formate?
The canonical SMILES for [cyclopropyl(1H-pyrazol-4-yl)methyl] formate is O=COC(c1cn[nH]c1)C1CC1.
What is the InChIKey of [cyclopropyl(1H-pyrazol-4-yl)methyl] formate?
The InChIKey is DRWFCKATWXMXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c11-5-12-8(6-1-2-6)7-3-9-10-4-7/h3-6,8H,1-2H2,(H,9,10).
What are the key properties of [cyclopropyl(1H-pyrazol-4-yl)methyl] formate?
[cyclopropyl(1H-pyrazol-4-yl)methyl] formate has a molecular weight of 166.18 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [cyclopropyl(1H-pyrazol-4-yl)methyl] formate is sourced from PubChem (CID 174599588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).