ethane;4-ethyl-3,5-dimethyl-4H-pyrazole

C9H18N2 — CID 144533099

IUPACethane;4-ethyl-3,5-dimethyl-4H-pyrazole
SMILESCC.CCC1C(C)=NN=C1C
InChIInChI=1S/C7H12N2.C2H6/c1-4-7-5(2)8-9-6(7)3;1-2/h7H,4H2,1-3H3;1-2H3
InChIKeyYUKYTYWNCAPUGR-UHFFFAOYSA-N
MW154.26 g/mol
LogP2.89
Rot. Bonds1

About ethane;4-ethyl-3,5-dimethyl-4H-pyrazole

ethane;4-ethyl-3,5-dimethyl-4H-pyrazole (PubChem CID 144533099) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is ethane;4-ethyl-3,5-dimethyl-4H-pyrazole.

Molecular Properties

Compound Nameethane;4-ethyl-3,5-dimethyl-4H-pyrazole
PubChem CID144533099
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Nameethane;4-ethyl-3,5-dimethyl-4H-pyrazole
SMILESCC.CCC1C(C)=NN=C1C
InChIInChI=1S/C7H12N2.C2H6/c1-4-7-5(2)8-9-6(7)3;1-2/h7H,4H2,1-3H3;1-2H3
InChIKeyYUKYTYWNCAPUGR-UHFFFAOYSA-N
XLogP2.89
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethane;4-ethyl-3,5-dimethyl-4H-pyrazole 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 ethane;4-ethyl-3,5-dimethyl-4H-pyrazole?
The IUPAC name of ethane;4-ethyl-3,5-dimethyl-4H-pyrazole (CID 144533099) is ethane;4-ethyl-3,5-dimethyl-4H-pyrazole.
What is the SMILES notation for ethane;4-ethyl-3,5-dimethyl-4H-pyrazole?
The canonical SMILES for ethane;4-ethyl-3,5-dimethyl-4H-pyrazole is CC.CCC1C(C)=NN=C1C.
What is the InChIKey of ethane;4-ethyl-3,5-dimethyl-4H-pyrazole?
The InChIKey is YUKYTYWNCAPUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2.C2H6/c1-4-7-5(2)8-9-6(7)3;1-2/h7H,4H2,1-3H3;1-2H3.
What are the key properties of ethane;4-ethyl-3,5-dimethyl-4H-pyrazole?
ethane;4-ethyl-3,5-dimethyl-4H-pyrazole has a molecular weight of 154.26 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-ethyl-3,5-dimethyl-4H-pyrazole is sourced from PubChem (CID 144533099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).