1-(5-ethyl-1H-pyrazol-4-yl)propan-2-yl formate

C9H14N2O2 — CID 138683202

IUPAC1-(5-ethyl-1H-pyrazol-4-yl)propan-2-yl formate
SMILESCCc1[nH]ncc1CC(C)OC=O
InChIInChI=1S/C9H14N2O2/c1-3-9-8(5-10-11-9)4-7(2)13-6-12/h5-7H,3-4H2,1-2H3,(H,10,11)
InChIKeyJRMSSLJFODDATP-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.08
Rot. Bonds5

About 1-(5-ethyl-1H-pyrazol-4-yl)propan-2-yl formate

1-(5-ethyl-1H-pyrazol-4-yl)propan-2-yl formate (PubChem CID 138683202) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 1-(5-ethyl-1H-pyrazol-4-yl)propan-2-yl formate.

Molecular Properties

Compound Name1-(5-ethyl-1H-pyrazol-4-yl)propan-2-yl formate
PubChem CID138683202
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name1-(5-ethyl-1H-pyrazol-4-yl)propan-2-yl formate
SMILESCCc1[nH]ncc1CC(C)OC=O
InChIInChI=1S/C9H14N2O2/c1-3-9-8(5-10-11-9)4-7(2)13-6-12/h5-7H,3-4H2,1-2H3,(H,10,11)
InChIKeyJRMSSLJFODDATP-UHFFFAOYSA-N
XLogP1.08
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.08
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-4-yl)propan-2-yl formate?
The IUPAC name of 1-(5-ethyl-1H-pyrazol-4-yl)propan-2-yl formate (CID 138683202) is 1-(5-ethyl-1H-pyrazol-4-yl)propan-2-yl formate.
What is the SMILES notation for 1-(5-ethyl-1H-pyrazol-4-yl)propan-2-yl formate?
The canonical SMILES for 1-(5-ethyl-1H-pyrazol-4-yl)propan-2-yl formate is CCc1[nH]ncc1CC(C)OC=O.
What is the InChIKey of 1-(5-ethyl-1H-pyrazol-4-yl)propan-2-yl formate?
The InChIKey is JRMSSLJFODDATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-3-9-8(5-10-11-9)4-7(2)13-6-12/h5-7H,3-4H2,1-2H3,(H,10,11).
What are the key properties of 1-(5-ethyl-1H-pyrazol-4-yl)propan-2-yl formate?
1-(5-ethyl-1H-pyrazol-4-yl)propan-2-yl formate has a molecular weight of 182.22 g/mol, XLogP of 1.08, 5 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-4-yl)propan-2-yl formate is sourced from PubChem (CID 138683202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).