5-methyl-2,4-di(propan-2-yl)-1H-pyrazol-3-one

C10H18N2O — CID 58567617

IUPAC5-methyl-2,4-di(propan-2-yl)-1H-pyrazol-3-one
SMILESCc1[nH]n(C(C)C)c(=O)c1C(C)C
InChIInChI=1S/C10H18N2O/c1-6(2)9-8(5)11-12(7(3)4)10(9)13/h6-7,11H,1-5H3
InChIKeyUGUIGWDTRKSEBO-UHFFFAOYSA-N
MW182.27 g/mol
LogP2.19
Rot. Bonds2

About 5-methyl-2,4-di(propan-2-yl)-1H-pyrazol-3-one

5-methyl-2,4-di(propan-2-yl)-1H-pyrazol-3-one (PubChem CID 58567617) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 5-methyl-2,4-di(propan-2-yl)-1H-pyrazol-3-one.

Molecular Properties

Compound Name5-methyl-2,4-di(propan-2-yl)-1H-pyrazol-3-one
PubChem CID58567617
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name5-methyl-2,4-di(propan-2-yl)-1H-pyrazol-3-one
SMILESCc1[nH]n(C(C)C)c(=O)c1C(C)C
InChIInChI=1S/C10H18N2O/c1-6(2)9-8(5)11-12(7(3)4)10(9)13/h6-7,11H,1-5H3
InChIKeyUGUIGWDTRKSEBO-UHFFFAOYSA-N
XLogP2.19
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 52.19
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
4-ethyl-5-methyl-2-(2,2,2-trifluoroethyl)-1H-pyrazol-3-one
CID 130663961
4-Isopropyl-1,5-dimethyl-1H-pyrazol-3(2H)-one
CID 12149480
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
1-Methyl-2,4,5-tri(propan-2-yl)pyrazol-3-one
CID 20577289
2-butyl-4,5-ditert-butyl-1H-pyrazol-3-one
CID 20872021
4,5-ditert-butyl-2-methyl-1H-pyrazol-3-one
CID 23592097
4-tert-butyl-2,5-dimethyl-1H-pyrazol-3-one
CID 57709343
4-tert-butyl-2-methyl-5-propan-2-yl-1H-pyrazol-3-one
CID 57709447
4-tert-butyl-5-cyclopropyl-2-methyl-1H-pyrazol-3-one
CID 57709467
1,3-dimethyl-4-(2-methylpropyl)-1H-pyrazol-5-ol
CID 58125213

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2,4-di(propan-2-yl)-1H-pyrazol-3-one?
The IUPAC name of 5-methyl-2,4-di(propan-2-yl)-1H-pyrazol-3-one (CID 58567617) is 5-methyl-2,4-di(propan-2-yl)-1H-pyrazol-3-one.
What is the SMILES notation for 5-methyl-2,4-di(propan-2-yl)-1H-pyrazol-3-one?
The canonical SMILES for 5-methyl-2,4-di(propan-2-yl)-1H-pyrazol-3-one is Cc1[nH]n(C(C)C)c(=O)c1C(C)C.
What is the InChIKey of 5-methyl-2,4-di(propan-2-yl)-1H-pyrazol-3-one?
The InChIKey is UGUIGWDTRKSEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-6(2)9-8(5)11-12(7(3)4)10(9)13/h6-7,11H,1-5H3.
What are the key properties of 5-methyl-2,4-di(propan-2-yl)-1H-pyrazol-3-one?
5-methyl-2,4-di(propan-2-yl)-1H-pyrazol-3-one has a molecular weight of 182.27 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2,4-di(propan-2-yl)-1H-pyrazol-3-one is sourced from PubChem (CID 58567617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).