5-(1-methylcyclopropyl)-1,2-dihydropyrazol-3-one

C7H10N2O — CID 126973311

IUPAC5-(1-methylcyclopropyl)-1,2-dihydropyrazol-3-one
SMILESCC1(c2cc(=O)[nH][nH]2)CC1
InChIInChI=1S/C7H10N2O/c1-7(2-3-7)5-4-6(10)9-8-5/h4H,2-3H2,1H3,(H2,8,9,10)
InChIKeyGAYHBKMNDTYNLY-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.75
Rot. Bonds1

About 5-(1-methylcyclopropyl)-1,2-dihydropyrazol-3-one

5-(1-methylcyclopropyl)-1,2-dihydropyrazol-3-one (PubChem CID 126973311) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is 5-(1-methylcyclopropyl)-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name5-(1-methylcyclopropyl)-1,2-dihydropyrazol-3-one
PubChem CID126973311
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name5-(1-methylcyclopropyl)-1,2-dihydropyrazol-3-one
SMILESCC1(c2cc(=O)[nH][nH]2)CC1
InChIInChI=1S/C7H10N2O/c1-7(2-3-7)5-4-6(10)9-8-5/h4H,2-3H2,1H3,(H2,8,9,10)
InChIKeyGAYHBKMNDTYNLY-UHFFFAOYSA-N
XLogP0.75
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methylcyclopropyl)-1,2-dihydropyrazol-3-one?
The IUPAC name of 5-(1-methylcyclopropyl)-1,2-dihydropyrazol-3-one (CID 126973311) is 5-(1-methylcyclopropyl)-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 5-(1-methylcyclopropyl)-1,2-dihydropyrazol-3-one?
The canonical SMILES for 5-(1-methylcyclopropyl)-1,2-dihydropyrazol-3-one is CC1(c2cc(=O)[nH][nH]2)CC1.
What is the InChIKey of 5-(1-methylcyclopropyl)-1,2-dihydropyrazol-3-one?
The InChIKey is GAYHBKMNDTYNLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c1-7(2-3-7)5-4-6(10)9-8-5/h4H,2-3H2,1H3,(H2,8,9,10).
What are the key properties of 5-(1-methylcyclopropyl)-1,2-dihydropyrazol-3-one?
5-(1-methylcyclopropyl)-1,2-dihydropyrazol-3-one has a molecular weight of 138.17 g/mol, XLogP of 0.75, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylcyclopropyl)-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 126973311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).