carbon dioxide;4,5-diethyl-1,2-dihydropyrazol-3-one

C8H12N2O3 — CID 161190422

IUPACcarbon dioxide;4,5-diethyl-1,2-dihydropyrazol-3-one
SMILESCCc1[nH][nH]c(=O)c1CC.O=C=O
InChIInChI=1S/C7H12N2O.CO2/c1-3-5-6(4-2)8-9-7(5)10;2-1-3/h3-4H2,1-2H3,(H2,8,9,10);
InChIKeyUTQJZQXZRCVJEM-UHFFFAOYSA-N
MW184.19 g/mol
LogP0.24
Rot. Bonds2

About carbon dioxide;4,5-diethyl-1,2-dihydropyrazol-3-one

carbon dioxide;4,5-diethyl-1,2-dihydropyrazol-3-one (PubChem CID 161190422) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is carbon dioxide;4,5-diethyl-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Namecarbon dioxide;4,5-diethyl-1,2-dihydropyrazol-3-one
PubChem CID161190422
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Namecarbon dioxide;4,5-diethyl-1,2-dihydropyrazol-3-one
SMILESCCc1[nH][nH]c(=O)c1CC.O=C=O
InChIInChI=1S/C7H12N2O.CO2/c1-3-5-6(4-2)8-9-7(5)10;2-1-3/h3-4H2,1-2H3,(H2,8,9,10);
InChIKeyUTQJZQXZRCVJEM-UHFFFAOYSA-N
XLogP0.24
TPSA82.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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-Butyl-5-methylpyrazalone
CID 574166
4-(2-Fluoroethyl)-5-methyl-1,2-dihydropyrazol-3-one
CID 84648938
5-methyl-4-[(Z)-pent-2-enyl]-1,2-dihydropyrazol-3-one
CID 42643979
5-methyl-4-[(E)-pent-2-enyl]-1,2-dihydropyrazol-3-one
CID 42644210
5-Methyl-4-pent-2-ynyl-1,2-dihydropyrazol-3-one
CID 42644211
3-methyl-4-(propan-2-yl)-1H-pyrazol-5-ol
CID 4285009
4-ethyl-3-methyl-1H-pyrazol-5-ol
CID 4285010

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;4,5-diethyl-1,2-dihydropyrazol-3-one?
The IUPAC name of carbon dioxide;4,5-diethyl-1,2-dihydropyrazol-3-one (CID 161190422) is carbon dioxide;4,5-diethyl-1,2-dihydropyrazol-3-one.
What is the SMILES notation for carbon dioxide;4,5-diethyl-1,2-dihydropyrazol-3-one?
The canonical SMILES for carbon dioxide;4,5-diethyl-1,2-dihydropyrazol-3-one is CCc1[nH][nH]c(=O)c1CC.O=C=O.
What is the InChIKey of carbon dioxide;4,5-diethyl-1,2-dihydropyrazol-3-one?
The InChIKey is UTQJZQXZRCVJEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O.CO2/c1-3-5-6(4-2)8-9-7(5)10;2-1-3/h3-4H2,1-2H3,(H2,8,9,10);.
What are the key properties of carbon dioxide;4,5-diethyl-1,2-dihydropyrazol-3-one?
carbon dioxide;4,5-diethyl-1,2-dihydropyrazol-3-one has a molecular weight of 184.19 g/mol, XLogP of 0.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;4,5-diethyl-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 161190422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).