4-methanidyl-3,5-dimethyl-1-phenylpyrazole;yttrium

C12H13N2Y- — CID 176877441

IUPAC4-methanidyl-3,5-dimethyl-1-phenylpyrazole;yttrium
SMILES[CH2-]c1c(C)nn(-c2ccccc2)c1C.[Y]
InChIInChI=1S/C12H13N2.Y/c1-9-10(2)13-14(11(9)3)12-7-5-4-6-8-12;/h4-8H,1H2,2-3H3;/q-1;
InChIKeyBPZJPFDGVMMVEO-UHFFFAOYSA-N
MW274.16 g/mol
LogP2.67
Rot. Bonds1

About 4-methanidyl-3,5-dimethyl-1-phenylpyrazole;yttrium

4-methanidyl-3,5-dimethyl-1-phenylpyrazole;yttrium (PubChem CID 176877441) has the molecular formula C12H13N2Y- and a molecular weight of 274.16 g/mol. Its IUPAC name is 4-methanidyl-3,5-dimethyl-1-phenylpyrazole;yttrium.

Molecular Properties

Compound Name4-methanidyl-3,5-dimethyl-1-phenylpyrazole;yttrium
PubChem CID176877441
Molecular FormulaC12H13N2Y-
Molecular Weight274.16 g/mol
Exact Mass274.01
IUPAC Name4-methanidyl-3,5-dimethyl-1-phenylpyrazole;yttrium
SMILES[CH2-]c1c(C)nn(-c2ccccc2)c1C.[Y]
InChIInChI=1S/C12H13N2.Y/c1-9-10(2)13-14(11(9)3)12-7-5-4-6-8-12;/h4-8H,1H2,2-3H3;/q-1;
InChIKeyBPZJPFDGVMMVEO-UHFFFAOYSA-N
XLogP2.67
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

(3,5-dimethyl-1-phenylpyrazol-4-yl)-trimethylsilane
CID 130535844
(3,5-dimethyl-1-phenylpyrazol-4-yl)methanol
CID 2526674
3,5-dimethyl-1-phenyl-4-[(Z)-prop-1-enyl]pyrazole
CID 143867977
1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-methylmethanimine
CID 67710570
3-methyl-1-phenylpyrazolo[4,5-b]pyridine
CID 76847108
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanyl-4,6-dimethylpyrimidine
CID 665216
4-[methoxy(methyl)phosphoryl]-3,5-dimethyl-1-phenylpyrazole
CID 11865238
3,5-dimethyl-1-phenyl-4-[(S)-phenylsulfinyl]pyrazole
CID 11860311
2,5-bis(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,3,4-oxadiazole
CID 2740693
1-(3,5-dimethyl-1-phenylpyrazol-4-yl)cyclopropan-1-amine
CID 105484824
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propan-1-amine
CID 79220501
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 88773612

Frequently Asked Questions

What is the IUPAC name of 4-methanidyl-3,5-dimethyl-1-phenylpyrazole;yttrium?
The IUPAC name of 4-methanidyl-3,5-dimethyl-1-phenylpyrazole;yttrium (CID 176877441) is 4-methanidyl-3,5-dimethyl-1-phenylpyrazole;yttrium.
What is the SMILES notation for 4-methanidyl-3,5-dimethyl-1-phenylpyrazole;yttrium?
The canonical SMILES for 4-methanidyl-3,5-dimethyl-1-phenylpyrazole;yttrium is [CH2-]c1c(C)nn(-c2ccccc2)c1C.[Y].
What is the InChIKey of 4-methanidyl-3,5-dimethyl-1-phenylpyrazole;yttrium?
The InChIKey is BPZJPFDGVMMVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N2.Y/c1-9-10(2)13-14(11(9)3)12-7-5-4-6-8-12;/h4-8H,1H2,2-3H3;/q-1;.
What are the key properties of 4-methanidyl-3,5-dimethyl-1-phenylpyrazole;yttrium?
4-methanidyl-3,5-dimethyl-1-phenylpyrazole;yttrium has a molecular weight of 274.16 g/mol, XLogP of 2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methanidyl-3,5-dimethyl-1-phenylpyrazole;yttrium is sourced from PubChem (CID 176877441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).