2-(3-tert-butyl-1-pentylpyrazol-5-yl)ethyl formate

C15H26N2O2 — CID 174948916

IUPAC2-(3-tert-butyl-1-pentylpyrazol-5-yl)ethyl formate
SMILESCCCCCn1nc(C(C)(C)C)cc1CCOC=O
InChIInChI=1S/C15H26N2O2/c1-5-6-7-9-17-13(8-10-19-12-18)11-14(16-17)15(2,3)4/h11-12H,5-10H2,1-4H3
InChIKeyVGGHXDGWOWFDQI-UHFFFAOYSA-N
MW266.38 g/mol
LogP3.09
Rot. Bonds8

About 2-(3-tert-butyl-1-pentylpyrazol-5-yl)ethyl formate

2-(3-tert-butyl-1-pentylpyrazol-5-yl)ethyl formate (PubChem CID 174948916) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 2-(3-tert-butyl-1-pentylpyrazol-5-yl)ethyl formate.

Molecular Properties

Compound Name2-(3-tert-butyl-1-pentylpyrazol-5-yl)ethyl formate
PubChem CID174948916
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name2-(3-tert-butyl-1-pentylpyrazol-5-yl)ethyl formate
SMILESCCCCCn1nc(C(C)(C)C)cc1CCOC=O
InChIInChI=1S/C15H26N2O2/c1-5-6-7-9-17-13(8-10-19-12-18)11-14(16-17)15(2,3)4/h11-12H,5-10H2,1-4H3
InChIKeyVGGHXDGWOWFDQI-UHFFFAOYSA-N
XLogP3.09
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(3-tert-butyl-1-pentylpyrazol-5-yl)ethyl formate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butyl-1-pentylpyrazol-5-yl)ethyl formate?
The IUPAC name of 2-(3-tert-butyl-1-pentylpyrazol-5-yl)ethyl formate (CID 174948916) is 2-(3-tert-butyl-1-pentylpyrazol-5-yl)ethyl formate.
What is the SMILES notation for 2-(3-tert-butyl-1-pentylpyrazol-5-yl)ethyl formate?
The canonical SMILES for 2-(3-tert-butyl-1-pentylpyrazol-5-yl)ethyl formate is CCCCCn1nc(C(C)(C)C)cc1CCOC=O.
What is the InChIKey of 2-(3-tert-butyl-1-pentylpyrazol-5-yl)ethyl formate?
The InChIKey is VGGHXDGWOWFDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-5-6-7-9-17-13(8-10-19-12-18)11-14(16-17)15(2,3)4/h11-12H,5-10H2,1-4H3.
What are the key properties of 2-(3-tert-butyl-1-pentylpyrazol-5-yl)ethyl formate?
2-(3-tert-butyl-1-pentylpyrazol-5-yl)ethyl formate has a molecular weight of 266.38 g/mol, XLogP of 3.09, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butyl-1-pentylpyrazol-5-yl)ethyl formate is sourced from PubChem (CID 174948916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).