(1-ethyl-3,5-dimethylpyrazol-4-yl) formate

C8H12N2O2 — CID 174359314

IUPAC(1-ethyl-3,5-dimethylpyrazol-4-yl) formate
SMILESCCn1nc(C)c(OC=O)c1C
InChIInChI=1S/C8H12N2O2/c1-4-10-7(3)8(12-5-11)6(2)9-10/h5H,4H2,1-3H3
InChIKeyJMTLVXJSEHKXCK-UHFFFAOYSA-N
MW168.20 g/mol
LogP1.06
Rot. Bonds3

About (1-ethyl-3,5-dimethylpyrazol-4-yl) formate

(1-ethyl-3,5-dimethylpyrazol-4-yl) formate (PubChem CID 174359314) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is (1-ethyl-3,5-dimethylpyrazol-4-yl) formate.

Molecular Properties

Compound Name(1-ethyl-3,5-dimethylpyrazol-4-yl) formate
PubChem CID174359314
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name(1-ethyl-3,5-dimethylpyrazol-4-yl) formate
SMILESCCn1nc(C)c(OC=O)c1C
InChIInChI=1S/C8H12N2O2/c1-4-10-7(3)8(12-5-11)6(2)9-10/h5H,4H2,1-3H3
InChIKeyJMTLVXJSEHKXCK-UHFFFAOYSA-N
XLogP1.06
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-ethyl-3,5-dimethylpyrazol-4-yl) formate?
The IUPAC name of (1-ethyl-3,5-dimethylpyrazol-4-yl) formate (CID 174359314) is (1-ethyl-3,5-dimethylpyrazol-4-yl) formate.
What is the SMILES notation for (1-ethyl-3,5-dimethylpyrazol-4-yl) formate?
The canonical SMILES for (1-ethyl-3,5-dimethylpyrazol-4-yl) formate is CCn1nc(C)c(OC=O)c1C.
What is the InChIKey of (1-ethyl-3,5-dimethylpyrazol-4-yl) formate?
The InChIKey is JMTLVXJSEHKXCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-4-10-7(3)8(12-5-11)6(2)9-10/h5H,4H2,1-3H3.
What are the key properties of (1-ethyl-3,5-dimethylpyrazol-4-yl) formate?
(1-ethyl-3,5-dimethylpyrazol-4-yl) formate has a molecular weight of 168.20 g/mol, XLogP of 1.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-3,5-dimethylpyrazol-4-yl) formate is sourced from PubChem (CID 174359314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).