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

C7H10N2O3 — CID 161475032

IUPACcarbon dioxide;4-ethyl-5-methyl-1,2-dihydropyrazol-3-one
SMILESCCc1c(C)[nH][nH]c1=O.O=C=O
InChIInChI=1S/C6H10N2O.CO2/c1-3-5-4(2)7-8-6(5)9;2-1-3/h3H2,1-2H3,(H2,7,8,9);
InChIKeyWDPIDGAKOJLPDX-UHFFFAOYSA-N
MW170.17 g/mol
LogP-0.01
Rot. Bonds1

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

carbon dioxide;4-ethyl-5-methyl-1,2-dihydropyrazol-3-one (PubChem CID 161475032) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is carbon dioxide;4-ethyl-5-methyl-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Namecarbon dioxide;4-ethyl-5-methyl-1,2-dihydropyrazol-3-one
PubChem CID161475032
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Namecarbon dioxide;4-ethyl-5-methyl-1,2-dihydropyrazol-3-one
SMILESCCc1c(C)[nH][nH]c1=O.O=C=O
InChIInChI=1S/C6H10N2O.CO2/c1-3-5-4(2)7-8-6(5)9;2-1-3/h3H2,1-2H3,(H2,7,8,9);
InChIKeyWDPIDGAKOJLPDX-UHFFFAOYSA-N
XLogP-0.01
TPSA82.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-0.01
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-ethyl-1,2-dihydro-3H-pyrazol-3-one
CID 17390074
4-(2-Fluoroethyl)-5-methyl-1,2-dihydropyrazol-3-one
CID 84648938
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
5-Isobutyl-4-methyl-1H-pyrazol-3(2H)-one
CID 10130071
4-ethyl-2,3-dimethyl-1H-pyrazol-5-one
CID 11051741
5-Tert-butyl-4-methyl-1,2-dihydropyrazol-3-one
CID 21327346
4-Allyl-5-methyl-2h-pyrazol-3-ol
CID 44160694
4-Methyl-5-propyl-1,2-dihydropyrazol-3-one
CID 44160704

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;4-ethyl-5-methyl-1,2-dihydropyrazol-3-one?
The IUPAC name of carbon dioxide;4-ethyl-5-methyl-1,2-dihydropyrazol-3-one (CID 161475032) is carbon dioxide;4-ethyl-5-methyl-1,2-dihydropyrazol-3-one.
What is the SMILES notation for carbon dioxide;4-ethyl-5-methyl-1,2-dihydropyrazol-3-one?
The canonical SMILES for carbon dioxide;4-ethyl-5-methyl-1,2-dihydropyrazol-3-one is CCc1c(C)[nH][nH]c1=O.O=C=O.
What is the InChIKey of carbon dioxide;4-ethyl-5-methyl-1,2-dihydropyrazol-3-one?
The InChIKey is WDPIDGAKOJLPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O.CO2/c1-3-5-4(2)7-8-6(5)9;2-1-3/h3H2,1-2H3,(H2,7,8,9);.
What are the key properties of carbon dioxide;4-ethyl-5-methyl-1,2-dihydropyrazol-3-one?
carbon dioxide;4-ethyl-5-methyl-1,2-dihydropyrazol-3-one has a molecular weight of 170.17 g/mol, XLogP of -0.01, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;4-ethyl-5-methyl-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 161475032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).