4,5-diethyl-1,2-dihydropyrazol-3-one

C7H12N2O — CID 58223609

IUPAC4,5-diethyl-1,2-dihydropyrazol-3-one
SMILESCCc1[nH][nH]c(=O)c1CC
InChIInChI=1S/C7H12N2O/c1-3-5-6(4-2)8-9-7(5)10/h3-4H2,1-2H3,(H2,8,9,10)
InChIKeyUILRPGCUWJBENQ-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.83
Rot. Bonds2

About 4,5-diethyl-1,2-dihydropyrazol-3-one

4,5-diethyl-1,2-dihydropyrazol-3-one (PubChem CID 58223609) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 4,5-diethyl-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name4,5-diethyl-1,2-dihydropyrazol-3-one
PubChem CID58223609
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name4,5-diethyl-1,2-dihydropyrazol-3-one
SMILESCCc1[nH][nH]c(=O)c1CC
InChIInChI=1S/C7H12N2O/c1-3-5-6(4-2)8-9-7(5)10/h3-4H2,1-2H3,(H2,8,9,10)
InChIKeyUILRPGCUWJBENQ-UHFFFAOYSA-N
XLogP0.83
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

3,4-dimethyl-1H-pyrazol-5-ol
CID 3364477
3-tert-butyl-1H-pyrazol-5-ol
CID 4307872
5-Ethyl-4-methyl-1h-pyrazol-3(2h)-one
CID 58579596
4-(2-Aminoethyl)-5-methyl-1H-pyrazol-3(2H)-one
CID 4715331
4-(2-aminoethyl)-5-tert-butyl-1,2-dihydro-3H-pyrazol-3-one
CID 4715337
4-(2-Aminoethyl)-5-isopropyl-1,2-dihydro-3H-pyrazol-3-one
CID 17390073
4-(2-aminoethyl)-5-ethyl-1,2-dihydro-3H-pyrazol-3-one
CID 17390074
4-Fluoro-5-propyl-1,2-dihydropyrazol-3-one
CID 12859027
4-Ethyl-5-(trifluoromethyl)-1,2-dihydropyrazol-3-one
CID 23211917
4-ethyl-5-methyl-2-(trifluoromethyl)-1H-pyrazol-3-one
CID 91185183
4-Butyl-5-methylpyrazalone
CID 574166
5-(sec-Butyl)-4-fluoro-1H-pyrazol-3(2H)-one
CID 15446607

Frequently Asked Questions

What is the IUPAC name of 4,5-diethyl-1,2-dihydropyrazol-3-one?
The IUPAC name of 4,5-diethyl-1,2-dihydropyrazol-3-one (CID 58223609) is 4,5-diethyl-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 4,5-diethyl-1,2-dihydropyrazol-3-one?
The canonical SMILES for 4,5-diethyl-1,2-dihydropyrazol-3-one is CCc1[nH][nH]c(=O)c1CC.
What is the InChIKey of 4,5-diethyl-1,2-dihydropyrazol-3-one?
The InChIKey is UILRPGCUWJBENQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-3-5-6(4-2)8-9-7(5)10/h3-4H2,1-2H3,(H2,8,9,10).
What are the key properties of 4,5-diethyl-1,2-dihydropyrazol-3-one?
4,5-diethyl-1,2-dihydropyrazol-3-one has a molecular weight of 140.19 g/mol, XLogP of 0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diethyl-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 58223609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).