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

C8H16N2 — CID 580445

IUPAC5-ethyl-2-propan-2-yl-3,4-dihydropyrazole
SMILESCCC1=NN(C(C)C)CC1
InChIInChI=1S/C8H16N2/c1-4-8-5-6-10(9-8)7(2)3/h7H,4-6H2,1-3H3
InChIKeyUMSXSCVFMDGXJU-UHFFFAOYSA-N
MW140.23 g/mol
LogP1.87
Rot. Bonds2

About 5-ethyl-2-propan-2-yl-3,4-dihydropyrazole

5-ethyl-2-propan-2-yl-3,4-dihydropyrazole (PubChem CID 580445) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 5-ethyl-2-propan-2-yl-3,4-dihydropyrazole.

Molecular Properties

Compound Name5-ethyl-2-propan-2-yl-3,4-dihydropyrazole
PubChem CID580445
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name5-ethyl-2-propan-2-yl-3,4-dihydropyrazole
SMILESCCC1=NN(C(C)C)CC1
InChIInChI=1S/C8H16N2/c1-4-8-5-6-10(9-8)7(2)3/h7H,4-6H2,1-3H3
InChIKeyUMSXSCVFMDGXJU-UHFFFAOYSA-N
XLogP1.87
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 ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-ethyl-2-propan-2-yl-3,4-dihydropyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 573817
CID 573817
CID 524009
CID 524009
CID 12503542
CID 12503542
CID 588026
CID 588026
CID 580360
CID 580360
CID 566123
CID 566123
CID 566251
CID 566251
CID 9684385
CID 9684385
CID 12231148
CID 12231148
CID 12612929
CID 12612929
CID 23262354
CID 23262354
CID 129802660
CID 129802660

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-propan-2-yl-3,4-dihydropyrazole?
The IUPAC name of 5-ethyl-2-propan-2-yl-3,4-dihydropyrazole (CID 580445) is 5-ethyl-2-propan-2-yl-3,4-dihydropyrazole.
What is the SMILES notation for 5-ethyl-2-propan-2-yl-3,4-dihydropyrazole?
The canonical SMILES for 5-ethyl-2-propan-2-yl-3,4-dihydropyrazole is CCC1=NN(C(C)C)CC1.
What is the InChIKey of 5-ethyl-2-propan-2-yl-3,4-dihydropyrazole?
The InChIKey is UMSXSCVFMDGXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-4-8-5-6-10(9-8)7(2)3/h7H,4-6H2,1-3H3.
What are the key properties of 5-ethyl-2-propan-2-yl-3,4-dihydropyrazole?
5-ethyl-2-propan-2-yl-3,4-dihydropyrazole has a molecular weight of 140.23 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-propan-2-yl-3,4-dihydropyrazole is sourced from PubChem (CID 580445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).