5-methyl-1,2-dihydropyrazol-3-one;hydrochloride

C4H7ClN2O — CID 66632131

IUPAC5-methyl-1,2-dihydropyrazol-3-one;hydrochloride
SMILESCc1cc(=O)[nH][nH]1.Cl
InChIInChI=1S/C4H6N2O.ClH/c1-3-2-4(7)6-5-3;/h2H,1H3,(H2,5,6,7);1H
InChIKeyOUIAWIVWLVYKNR-UHFFFAOYSA-N
MW134.57 g/mol
LogP0.43
Rot. Bonds

About 5-methyl-1,2-dihydropyrazol-3-one;hydrochloride

5-methyl-1,2-dihydropyrazol-3-one;hydrochloride (PubChem CID 66632131) has the molecular formula C4H7ClN2O and a molecular weight of 134.57 g/mol. Its IUPAC name is 5-methyl-1,2-dihydropyrazol-3-one;hydrochloride.

Molecular Properties

Compound Name5-methyl-1,2-dihydropyrazol-3-one;hydrochloride
PubChem CID66632131
Molecular FormulaC4H7ClN2O
Molecular Weight134.57 g/mol
Exact Mass134.02
IUPAC Name5-methyl-1,2-dihydropyrazol-3-one;hydrochloride
SMILESCc1cc(=O)[nH][nH]1.Cl
InChIInChI=1S/C4H6N2O.ClH/c1-3-2-4(7)6-5-3;/h2H,1H3,(H2,5,6,7);1H
InChIKeyOUIAWIVWLVYKNR-UHFFFAOYSA-N
XLogP0.43
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.57
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1,2-dihydropyrazol-3-one;hydrochloride?
The IUPAC name of 5-methyl-1,2-dihydropyrazol-3-one;hydrochloride (CID 66632131) is 5-methyl-1,2-dihydropyrazol-3-one;hydrochloride.
What is the SMILES notation for 5-methyl-1,2-dihydropyrazol-3-one;hydrochloride?
The canonical SMILES for 5-methyl-1,2-dihydropyrazol-3-one;hydrochloride is Cc1cc(=O)[nH][nH]1.Cl.
What is the InChIKey of 5-methyl-1,2-dihydropyrazol-3-one;hydrochloride?
The InChIKey is OUIAWIVWLVYKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O.ClH/c1-3-2-4(7)6-5-3;/h2H,1H3,(H2,5,6,7);1H.
What are the key properties of 5-methyl-1,2-dihydropyrazol-3-one;hydrochloride?
5-methyl-1,2-dihydropyrazol-3-one;hydrochloride has a molecular weight of 134.57 g/mol, XLogP of 0.43, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,2-dihydropyrazol-3-one;hydrochloride is sourced from PubChem (CID 66632131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).