4-methyl-3,4-dihydropyrazol-2-ide;yttrium

C4H7N2Y- — CID 59915029

IUPAC4-methyl-3,4-dihydropyrazol-2-ide;yttrium
SMILESCC1C=N[N-]C1.[Y]
InChIInChI=1S/C4H7N2.Y/c1-4-2-5-6-3-4;/h2,4H,3H2,1H3;/q-1;
InChIKeyAGGSXWADAWVKBX-UHFFFAOYSA-N
MW172.02 g/mol
LogP0.99
Rot. Bonds

About 4-methyl-3,4-dihydropyrazol-2-ide;yttrium

4-methyl-3,4-dihydropyrazol-2-ide;yttrium (PubChem CID 59915029) has the molecular formula C4H7N2Y- and a molecular weight of 172.02 g/mol. Its IUPAC name is 4-methyl-3,4-dihydropyrazol-2-ide;yttrium.

Molecular Properties

Compound Name4-methyl-3,4-dihydropyrazol-2-ide;yttrium
PubChem CID59915029
Molecular FormulaC4H7N2Y-
Molecular Weight172.02 g/mol
Exact Mass171.97
IUPAC Name4-methyl-3,4-dihydropyrazol-2-ide;yttrium
SMILESCC1C=N[N-]C1.[Y]
InChIInChI=1S/C4H7N2.Y/c1-4-2-5-6-3-4;/h2,4H,3H2,1H3;/q-1;
InChIKeyAGGSXWADAWVKBX-UHFFFAOYSA-N
XLogP0.99
TPSA26.46 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.02
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3,4-dihydropyrazol-2-ide;yttrium?
The IUPAC name of 4-methyl-3,4-dihydropyrazol-2-ide;yttrium (CID 59915029) is 4-methyl-3,4-dihydropyrazol-2-ide;yttrium.
What is the SMILES notation for 4-methyl-3,4-dihydropyrazol-2-ide;yttrium?
The canonical SMILES for 4-methyl-3,4-dihydropyrazol-2-ide;yttrium is CC1C=N[N-]C1.[Y].
What is the InChIKey of 4-methyl-3,4-dihydropyrazol-2-ide;yttrium?
The InChIKey is AGGSXWADAWVKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N2.Y/c1-4-2-5-6-3-4;/h2,4H,3H2,1H3;/q-1;.
What are the key properties of 4-methyl-3,4-dihydropyrazol-2-ide;yttrium?
4-methyl-3,4-dihydropyrazol-2-ide;yttrium has a molecular weight of 172.02 g/mol, XLogP of 0.99, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3,4-dihydropyrazol-2-ide;yttrium is sourced from PubChem (CID 59915029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).