5-ethyl-2-propyl-1H-pyrazol-3-one

C8H14N2O — CID 66022938

IUPAC5-ethyl-2-propyl-1H-pyrazol-3-one
SMILESCCCn1[nH]c(CC)cc1=O
InChIInChI=1S/C8H14N2O/c1-3-5-10-8(11)6-7(4-2)9-10/h6,9H,3-5H2,1-2H3
InChIKeyQEZSDIOGTMJSLB-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.15
Rot. Bonds3

About 5-ethyl-2-propyl-1H-pyrazol-3-one

5-ethyl-2-propyl-1H-pyrazol-3-one (PubChem CID 66022938) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 5-ethyl-2-propyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name5-ethyl-2-propyl-1H-pyrazol-3-one
PubChem CID66022938
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name5-ethyl-2-propyl-1H-pyrazol-3-one
SMILESCCCn1[nH]c(CC)cc1=O
InChIInChI=1S/C8H14N2O/c1-3-5-10-8(11)6-7(4-2)9-10/h6,9H,3-5H2,1-2H3
InChIKeyQEZSDIOGTMJSLB-UHFFFAOYSA-N
XLogP1.15
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Cyclopropyl-3-methyl-1-pyrazol-5-ol
CID 126971897
2-[1-(2-methylpropyl)-5-oxo-2,5-dihydro-1H-pyrazol-3-yl]acetohydrazide
CID 4962217
5-Methyl-2-propyl-1,2-dihydro-3H-pyrazol-3-one
CID 12385116
1-Hexyl-3-meth-ylpyrazol-5-one
CID 14252477
3-Ethyl-1-methyl-1H-pyrazol-5-ol
CID 22107635
5-(1-fluoroethyl)-2-methyl-1H-pyrazol-3-one
CID 123985495
1-Butyl-3-methyl-1H-pyrazol-5-ol
CID 12385123
1-isobutyl-3-methyl-1H-pyrazol-5-ol
CID 64985325
2-methyl-3-propan-2-yl-1H-pyrazol-5-one
CID 9989344
3-tert-butyl-2-methyl-1H-pyrazol-5-one
CID 11819244
1-Acetyl-3,5-dimethylpyrazoline
CID 129787042
2-butan-2-yl-5-(difluoromethyl)-1H-pyrazol-3-one
CID 66020880

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-propyl-1H-pyrazol-3-one?
The IUPAC name of 5-ethyl-2-propyl-1H-pyrazol-3-one (CID 66022938) is 5-ethyl-2-propyl-1H-pyrazol-3-one.
What is the SMILES notation for 5-ethyl-2-propyl-1H-pyrazol-3-one?
The canonical SMILES for 5-ethyl-2-propyl-1H-pyrazol-3-one is CCCn1[nH]c(CC)cc1=O.
What is the InChIKey of 5-ethyl-2-propyl-1H-pyrazol-3-one?
The InChIKey is QEZSDIOGTMJSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-3-5-10-8(11)6-7(4-2)9-10/h6,9H,3-5H2,1-2H3.
What are the key properties of 5-ethyl-2-propyl-1H-pyrazol-3-one?
5-ethyl-2-propyl-1H-pyrazol-3-one has a molecular weight of 154.21 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-propyl-1H-pyrazol-3-one is sourced from PubChem (CID 66022938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).