3-methyl-4-propyl-1,4-dihydropyrazol-5-one

C7H12N2O — CID 2781516

IUPAC3-methyl-4-propyl-1,4-dihydropyrazol-5-one
SMILESCCCC1C(=O)NN=C1C
InChIInChI=1S/C7H12N2O/c1-3-4-6-5(2)8-9-7(6)10/h6H,3-4H2,1-2H3,(H,9,10)
InChIKeyFDIDKUSZKOGUBJ-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.91
Rot. Bonds2

About 3-methyl-4-propyl-1,4-dihydropyrazol-5-one

3-methyl-4-propyl-1,4-dihydropyrazol-5-one (PubChem CID 2781516) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 3-methyl-4-propyl-1,4-dihydropyrazol-5-one.

Molecular Properties

Compound Name3-methyl-4-propyl-1,4-dihydropyrazol-5-one
PubChem CID2781516
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name3-methyl-4-propyl-1,4-dihydropyrazol-5-one
SMILESCCCC1C(=O)NN=C1C
InChIInChI=1S/C7H12N2O/c1-3-4-6-5(2)8-9-7(6)10/h6H,3-4H2,1-2H3,(H,9,10)
InChIKeyFDIDKUSZKOGUBJ-UHFFFAOYSA-N
XLogP0.91
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-tert-butyl-4,5-dihydro-1H-pyrazol-5-one
CID 520421
3,4-Dimethyl-5-pyrazolone
CID 97947
3-Propyl-1,4-dihydropyrazol-5-one
CID 269244
2,3a,4,5,6,7-Hexahydro-3h-indazol-3-one
CID 279809
Mls003115808
CID 328028
Valeric acid, 2-propyl-, 2-isopropylidenehydrazide
CID 217059
Valeric acid, 2-propyl-, 2-cyclohexylidenehydrazide
CID 217061
3-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)propanehydrazide
CID 3471454
3-cyclopropyl-4,5-dihydro-1H-pyrazol-5-one
CID 22059494
3-Isopropyl-4,4-dimethyl-4,5-dihydro-1h-pyrazol-5-one
CID 266888
3H-Pyrazol-3-one, 4-ethyl-2,4-dihydro-5-methyl-
CID 3098809
4-(2-aminoethyl)-5-methyl-2,3-dihydro-1H-pyrazol-3-one
CID 23009801

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-propyl-1,4-dihydropyrazol-5-one?
The IUPAC name of 3-methyl-4-propyl-1,4-dihydropyrazol-5-one (CID 2781516) is 3-methyl-4-propyl-1,4-dihydropyrazol-5-one.
What is the SMILES notation for 3-methyl-4-propyl-1,4-dihydropyrazol-5-one?
The canonical SMILES for 3-methyl-4-propyl-1,4-dihydropyrazol-5-one is CCCC1C(=O)NN=C1C.
What is the InChIKey of 3-methyl-4-propyl-1,4-dihydropyrazol-5-one?
The InChIKey is FDIDKUSZKOGUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-3-4-6-5(2)8-9-7(6)10/h6H,3-4H2,1-2H3,(H,9,10).
What are the key properties of 3-methyl-4-propyl-1,4-dihydropyrazol-5-one?
3-methyl-4-propyl-1,4-dihydropyrazol-5-one has a molecular weight of 140.19 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-propyl-1,4-dihydropyrazol-5-one is sourced from PubChem (CID 2781516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).