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

C9H16N2O — CID 66022936

IUPAC4-ethyl-5-methyl-2-propyl-1H-pyrazol-3-one
SMILESCCCn1[nH]c(C)c(CC)c1=O
InChIInChI=1S/C9H16N2O/c1-4-6-11-9(12)8(5-2)7(3)10-11/h10H,4-6H2,1-3H3
InChIKeyLAPFWJMUZJZZEN-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.46
Rot. Bonds3

About 4-ethyl-5-methyl-2-propyl-1H-pyrazol-3-one

4-ethyl-5-methyl-2-propyl-1H-pyrazol-3-one (PubChem CID 66022936) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 4-ethyl-5-methyl-2-propyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name4-ethyl-5-methyl-2-propyl-1H-pyrazol-3-one
PubChem CID66022936
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name4-ethyl-5-methyl-2-propyl-1H-pyrazol-3-one
SMILESCCCn1[nH]c(C)c(CC)c1=O
InChIInChI=1S/C9H16N2O/c1-4-6-11-9(12)8(5-2)7(3)10-11/h10H,4-6H2,1-3H3
InChIKeyLAPFWJMUZJZZEN-UHFFFAOYSA-N
XLogP1.46
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-ethyl-5-hydroxy-3-methyl-1H-pyrazol-1-yl)propanenitrile
CID 2268933
5-(2-(Diethylamino)-2-oxoethyl)-N,N-diethyl-3-oxo-2,3-dihydro-1H-pyrazole-4-carboxamide
CID 375436
1-Acetyl-4-methyl-3-ethylpyrazoline
CID 129787154
4-(2-fluoroethyl)-2,5-dimethyl-1H-pyrazol-3-one
CID 84650757
5-ethyl-4-methyl-2-(2,2,2-trifluoroethyl)-1H-pyrazol-3-one
CID 126995009
4-ethyl-5-methyl-2-(2,2,2-trifluoroethyl)-1H-pyrazol-3-one
CID 130663961
4-acetyl-2-hexyl-5-methyl-1H-pyrazol-3-one
CID 21578545
4-ethyl-2,3-dimethyl-1H-pyrazol-5-one
CID 11051741
4-Isopropyl-1,5-dimethyl-1H-pyrazol-3(2H)-one
CID 12149480
2,4-dimethyl-5-[2-(methylamino)ethyl]-1H-pyrazol-3-one
CID 18685075
5-(2-aminoethyl)-2,4-dimethyl-1H-pyrazol-3-one
CID 18685141
5-tert-butyl-2,4-diethyl-1H-pyrazol-3-one
CID 20396394

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-methyl-2-propyl-1H-pyrazol-3-one?
The IUPAC name of 4-ethyl-5-methyl-2-propyl-1H-pyrazol-3-one (CID 66022936) is 4-ethyl-5-methyl-2-propyl-1H-pyrazol-3-one.
What is the SMILES notation for 4-ethyl-5-methyl-2-propyl-1H-pyrazol-3-one?
The canonical SMILES for 4-ethyl-5-methyl-2-propyl-1H-pyrazol-3-one is CCCn1[nH]c(C)c(CC)c1=O.
What is the InChIKey of 4-ethyl-5-methyl-2-propyl-1H-pyrazol-3-one?
The InChIKey is LAPFWJMUZJZZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-4-6-11-9(12)8(5-2)7(3)10-11/h10H,4-6H2,1-3H3.
What are the key properties of 4-ethyl-5-methyl-2-propyl-1H-pyrazol-3-one?
4-ethyl-5-methyl-2-propyl-1H-pyrazol-3-one has a molecular weight of 168.24 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-methyl-2-propyl-1H-pyrazol-3-one is sourced from PubChem (CID 66022936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).