5-ethyl-2-propyl-3,4-dihydropyrazole

C8H16N2 — CID 90808940

IUPAC5-ethyl-2-propyl-3,4-dihydropyrazole
SMILESCCCN1CCC(CC)=N1
InChIInChI=1S/C8H16N2/c1-3-6-10-7-5-8(4-2)9-10/h3-7H2,1-2H3
InChIKeyHFMWYIRHNYHCEQ-UHFFFAOYSA-N
MW140.23 g/mol
LogP1.87
Rot. Bonds3

About 5-ethyl-2-propyl-3,4-dihydropyrazole

5-ethyl-2-propyl-3,4-dihydropyrazole (PubChem CID 90808940) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 5-ethyl-2-propyl-3,4-dihydropyrazole.

Molecular Properties

Compound Name5-ethyl-2-propyl-3,4-dihydropyrazole
PubChem CID90808940
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name5-ethyl-2-propyl-3,4-dihydropyrazole
SMILESCCCN1CCC(CC)=N1
InChIInChI=1S/C8H16N2/c1-3-6-10-7-5-8(4-2)9-10/h3-7H2,1-2H3
InChIKeyHFMWYIRHNYHCEQ-UHFFFAOYSA-N
XLogP1.87
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-propyl-3,4-dihydropyrazole?
The IUPAC name of 5-ethyl-2-propyl-3,4-dihydropyrazole (CID 90808940) is 5-ethyl-2-propyl-3,4-dihydropyrazole.
What is the SMILES notation for 5-ethyl-2-propyl-3,4-dihydropyrazole?
The canonical SMILES for 5-ethyl-2-propyl-3,4-dihydropyrazole is CCCN1CCC(CC)=N1.
What is the InChIKey of 5-ethyl-2-propyl-3,4-dihydropyrazole?
The InChIKey is HFMWYIRHNYHCEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-3-6-10-7-5-8(4-2)9-10/h3-7H2,1-2H3.
What are the key properties of 5-ethyl-2-propyl-3,4-dihydropyrazole?
5-ethyl-2-propyl-3,4-dihydropyrazole has a molecular weight of 140.23 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-propyl-3,4-dihydropyrazole is sourced from PubChem (CID 90808940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).