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

C10H18N2O — CID 66020264

IUPAC2-butyl-5-ethyl-4-methyl-1H-pyrazol-3-one
SMILESCCCCn1[nH]c(CC)c(C)c1=O
InChIInChI=1S/C10H18N2O/c1-4-6-7-12-10(13)8(3)9(5-2)11-12/h11H,4-7H2,1-3H3
InChIKeyDEBPAALPCNFAPO-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.85
Rot. Bonds4

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

2-butyl-5-ethyl-4-methyl-1H-pyrazol-3-one (PubChem CID 66020264) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 2-butyl-5-ethyl-4-methyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-butyl-5-ethyl-4-methyl-1H-pyrazol-3-one
PubChem CID66020264
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name2-butyl-5-ethyl-4-methyl-1H-pyrazol-3-one
SMILESCCCCn1[nH]c(CC)c(C)c1=O
InChIInChI=1S/C10H18N2O/c1-4-6-7-12-10(13)8(3)9(5-2)11-12/h11H,4-7H2,1-3H3
InChIKeyDEBPAALPCNFAPO-UHFFFAOYSA-N
XLogP1.85
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.85
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
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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
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
2-Ethyl-1,5-dimethyl-4-propan-2-ylpyrazol-3-one
CID 20464002
2-butyl-4,5-ditert-butyl-1H-pyrazol-3-one
CID 20872021

Frequently Asked Questions

What is the IUPAC name of 2-butyl-5-ethyl-4-methyl-1H-pyrazol-3-one?
The IUPAC name of 2-butyl-5-ethyl-4-methyl-1H-pyrazol-3-one (CID 66020264) is 2-butyl-5-ethyl-4-methyl-1H-pyrazol-3-one.
What is the SMILES notation for 2-butyl-5-ethyl-4-methyl-1H-pyrazol-3-one?
The canonical SMILES for 2-butyl-5-ethyl-4-methyl-1H-pyrazol-3-one is CCCCn1[nH]c(CC)c(C)c1=O.
What is the InChIKey of 2-butyl-5-ethyl-4-methyl-1H-pyrazol-3-one?
The InChIKey is DEBPAALPCNFAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-4-6-7-12-10(13)8(3)9(5-2)11-12/h11H,4-7H2,1-3H3.
What are the key properties of 2-butyl-5-ethyl-4-methyl-1H-pyrazol-3-one?
2-butyl-5-ethyl-4-methyl-1H-pyrazol-3-one has a molecular weight of 182.27 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5-ethyl-4-methyl-1H-pyrazol-3-one is sourced from PubChem (CID 66020264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).