2,3-dimethyl-4-propyl-1H-pyrazol-5-one

C8H14N2O — CID 139597195

IUPAC2,3-dimethyl-4-propyl-1H-pyrazol-5-one
SMILESCCCc1c(C)n(C)[nH]c1=O
InChIInChI=1S/C8H14N2O/c1-4-5-7-6(2)10(3)9-8(7)11/h4-5H2,1-3H3,(H,9,11)
InChIKeySZYPKTPZKXNVBM-UHFFFAOYSA-N
MW154.21 g/mol
LogP0.97
Rot. Bonds2

About 2,3-dimethyl-4-propyl-1H-pyrazol-5-one

2,3-dimethyl-4-propyl-1H-pyrazol-5-one (PubChem CID 139597195) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 2,3-dimethyl-4-propyl-1H-pyrazol-5-one.

Molecular Properties

Compound Name2,3-dimethyl-4-propyl-1H-pyrazol-5-one
PubChem CID139597195
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name2,3-dimethyl-4-propyl-1H-pyrazol-5-one
SMILESCCCc1c(C)n(C)[nH]c1=O
InChIInChI=1S/C8H14N2O/c1-4-5-7-6(2)10(3)9-8(7)11/h4-5H2,1-3H3,(H,9,11)
InChIKeySZYPKTPZKXNVBM-UHFFFAOYSA-N
XLogP0.97
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-4,5,6,7-tetrahydro-1H-indazol-3(2H)-one
CID 13613870
3-(3-tert-butyl-5-hydroxy-1H-pyrazol-4-yl)propanenitrile
CID 71755925
4-Butyl-5-methylpyrazalone
CID 574166
2-methyl-4-(2-methylprop-2-enyl)-5-(trifluoromethyl)-1H-pyrazol-3-one
CID 10421000
4-(2-fluoroethyl)-2,3-dimethyl-1H-pyrazol-5-one
CID 84650756
4-Propyl-5-(trifluoromethyl)-1,2-dihydropyrazol-3-one
CID 142823030
2-methyl-4-propyl-5-(trifluoromethyl)-1H-pyrazol-3-one
CID 162568368
4-ethyl-2,3-dimethyl-1H-pyrazol-5-one
CID 11051741
4-Isopropyl-1,5-dimethyl-1H-pyrazol-3(2H)-one
CID 12149480
5-Methyl-4-(2-methylpropyl)-1,2-dihydropyrazol-3-one
CID 50888926
1,3-dimethyl-4-(2-methylpropyl)-1H-pyrazol-5-ol
CID 58125213
4-tert-butyl-2,3-dimethyl-1H-pyrazol-5-one
CID 59864473

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-4-propyl-1H-pyrazol-5-one?
The IUPAC name of 2,3-dimethyl-4-propyl-1H-pyrazol-5-one (CID 139597195) is 2,3-dimethyl-4-propyl-1H-pyrazol-5-one.
What is the SMILES notation for 2,3-dimethyl-4-propyl-1H-pyrazol-5-one?
The canonical SMILES for 2,3-dimethyl-4-propyl-1H-pyrazol-5-one is CCCc1c(C)n(C)[nH]c1=O.
What is the InChIKey of 2,3-dimethyl-4-propyl-1H-pyrazol-5-one?
The InChIKey is SZYPKTPZKXNVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-4-5-7-6(2)10(3)9-8(7)11/h4-5H2,1-3H3,(H,9,11).
What are the key properties of 2,3-dimethyl-4-propyl-1H-pyrazol-5-one?
2,3-dimethyl-4-propyl-1H-pyrazol-5-one has a molecular weight of 154.21 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-4-propyl-1H-pyrazol-5-one is sourced from PubChem (CID 139597195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).