4-ethyl-2-propan-2-yl-3,4-dihydropyrazole

C8H16N2 — CID 580470

IUPAC4-ethyl-2-propan-2-yl-3,4-dihydropyrazole
SMILESCCC1C=NN(C(C)C)C1
InChIInChI=1S/C8H16N2/c1-4-8-5-9-10(6-8)7(2)3/h5,7-8H,4,6H2,1-3H3
InChIKeyYYDARPMCZIBRBD-UHFFFAOYSA-N
MW140.23 g/mol
LogP1.72
Rot. Bonds2

About 4-ethyl-2-propan-2-yl-3,4-dihydropyrazole

4-ethyl-2-propan-2-yl-3,4-dihydropyrazole (PubChem CID 580470) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 4-ethyl-2-propan-2-yl-3,4-dihydropyrazole.

Molecular Properties

Compound Name4-ethyl-2-propan-2-yl-3,4-dihydropyrazole
PubChem CID580470
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name4-ethyl-2-propan-2-yl-3,4-dihydropyrazole
SMILESCCC1C=NN(C(C)C)C1
InChIInChI=1S/C8H16N2/c1-4-8-5-9-10(6-8)7(2)3/h5,7-8H,4,6H2,1-3H3
InChIKeyYYDARPMCZIBRBD-UHFFFAOYSA-N
XLogP1.72
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-propan-2-yl-3,4-dihydropyrazole?
The IUPAC name of 4-ethyl-2-propan-2-yl-3,4-dihydropyrazole (CID 580470) is 4-ethyl-2-propan-2-yl-3,4-dihydropyrazole.
What is the SMILES notation for 4-ethyl-2-propan-2-yl-3,4-dihydropyrazole?
The canonical SMILES for 4-ethyl-2-propan-2-yl-3,4-dihydropyrazole is CCC1C=NN(C(C)C)C1.
What is the InChIKey of 4-ethyl-2-propan-2-yl-3,4-dihydropyrazole?
The InChIKey is YYDARPMCZIBRBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-4-8-5-9-10(6-8)7(2)3/h5,7-8H,4,6H2,1-3H3.
What are the key properties of 4-ethyl-2-propan-2-yl-3,4-dihydropyrazole?
4-ethyl-2-propan-2-yl-3,4-dihydropyrazole has a molecular weight of 140.23 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-propan-2-yl-3,4-dihydropyrazole is sourced from PubChem (CID 580470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).