1-(5-ethyl-1H-pyrazol-3-yl)ethyl formate

C8H12N2O2 — CID 174670534

IUPAC1-(5-ethyl-1H-pyrazol-3-yl)ethyl formate
SMILESCCc1cc(C(C)OC=O)n[nH]1
InChIInChI=1S/C8H12N2O2/c1-3-7-4-8(10-9-7)6(2)12-5-11/h4-6H,3H2,1-2H3,(H,9,10)
InChIKeyCHVHCJCHBSCDCL-UHFFFAOYSA-N
MW168.20 g/mol
LogP1.21
Rot. Bonds4

About 1-(5-ethyl-1H-pyrazol-3-yl)ethyl formate

1-(5-ethyl-1H-pyrazol-3-yl)ethyl formate (PubChem CID 174670534) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 1-(5-ethyl-1H-pyrazol-3-yl)ethyl formate.

Molecular Properties

Compound Name1-(5-ethyl-1H-pyrazol-3-yl)ethyl formate
PubChem CID174670534
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name1-(5-ethyl-1H-pyrazol-3-yl)ethyl formate
SMILESCCc1cc(C(C)OC=O)n[nH]1
InChIInChI=1S/C8H12N2O2/c1-3-7-4-8(10-9-7)6(2)12-5-11/h4-6H,3H2,1-2H3,(H,9,10)
InChIKeyCHVHCJCHBSCDCL-UHFFFAOYSA-N
XLogP1.21
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 51.21
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 1-(5-ethyl-1H-pyrazol-3-yl)ethyl formate?
The IUPAC name of 1-(5-ethyl-1H-pyrazol-3-yl)ethyl formate (CID 174670534) is 1-(5-ethyl-1H-pyrazol-3-yl)ethyl formate.
What is the SMILES notation for 1-(5-ethyl-1H-pyrazol-3-yl)ethyl formate?
The canonical SMILES for 1-(5-ethyl-1H-pyrazol-3-yl)ethyl formate is CCc1cc(C(C)OC=O)n[nH]1.
What is the InChIKey of 1-(5-ethyl-1H-pyrazol-3-yl)ethyl formate?
The InChIKey is CHVHCJCHBSCDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-3-7-4-8(10-9-7)6(2)12-5-11/h4-6H,3H2,1-2H3,(H,9,10).
What are the key properties of 1-(5-ethyl-1H-pyrazol-3-yl)ethyl formate?
1-(5-ethyl-1H-pyrazol-3-yl)ethyl formate has a molecular weight of 168.20 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-1H-pyrazol-3-yl)ethyl formate is sourced from PubChem (CID 174670534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).