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

C7H12N2O — CID 2795346

IUPAC4-methyl-3-propyl-1,4-dihydropyrazol-5-one
SMILESCCCC1=NNC(=O)C1C
InChIInChI=1S/C7H12N2O/c1-3-4-6-5(2)7(10)9-8-6/h5H,3-4H2,1-2H3,(H,9,10)
InChIKeyAKKJMDKYKXLXAJ-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.91
Rot. Bonds2

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

4-methyl-3-propyl-1,4-dihydropyrazol-5-one (PubChem CID 2795346) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 4-methyl-3-propyl-1,4-dihydropyrazol-5-one.

Molecular Properties

Compound Name4-methyl-3-propyl-1,4-dihydropyrazol-5-one
PubChem CID2795346
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name4-methyl-3-propyl-1,4-dihydropyrazol-5-one
SMILESCCCC1=NNC(=O)C1C
InChIInChI=1S/C7H12N2O/c1-3-4-6-5(2)7(10)9-8-6/h5H,3-4H2,1-2H3,(H,9,10)
InChIKeyAKKJMDKYKXLXAJ-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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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-propyl-1,4-dihydropyrazol-5-one?
The IUPAC name of 4-methyl-3-propyl-1,4-dihydropyrazol-5-one (CID 2795346) is 4-methyl-3-propyl-1,4-dihydropyrazol-5-one.
What is the SMILES notation for 4-methyl-3-propyl-1,4-dihydropyrazol-5-one?
The canonical SMILES for 4-methyl-3-propyl-1,4-dihydropyrazol-5-one is CCCC1=NNC(=O)C1C.
What is the InChIKey of 4-methyl-3-propyl-1,4-dihydropyrazol-5-one?
The InChIKey is AKKJMDKYKXLXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-3-4-6-5(2)7(10)9-8-6/h5H,3-4H2,1-2H3,(H,9,10).
What are the key properties of 4-methyl-3-propyl-1,4-dihydropyrazol-5-one?
4-methyl-3-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 4-methyl-3-propyl-1,4-dihydropyrazol-5-one is sourced from PubChem (CID 2795346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).