(3,5-dimethylpyrazol-1-yl)-diphenylgallane

C17H17GaN2 — CID 134998652

IUPAC(3,5-dimethylpyrazol-1-yl)-diphenylgallane
SMILESCc1cc(C)n([Ga](c2ccccc2)c2ccccc2)n1
InChIInChI=1S/2C6H5.C5H7N2.Ga/c2*1-2-4-6-5-3-1;1-4-3-5(2)7-6-4;/h2*1-5H;3H,1-2H3;/q;;-1;+1
InChIKeyHPNVFIVAQZDZRO-UHFFFAOYSA-N
MW319.06 g/mol
LogP2.15
Rot. Bonds3

About (3,5-dimethylpyrazol-1-yl)-diphenylgallane

(3,5-dimethylpyrazol-1-yl)-diphenylgallane (PubChem CID 134998652) has the molecular formula C17H17GaN2 and a molecular weight of 319.06 g/mol. Its IUPAC name is (3,5-dimethylpyrazol-1-yl)-diphenylgallane.

Molecular Properties

Compound Name(3,5-dimethylpyrazol-1-yl)-diphenylgallane
PubChem CID134998652
Molecular FormulaC17H17GaN2
Molecular Weight319.06 g/mol
Exact Mass318.06
IUPAC Name(3,5-dimethylpyrazol-1-yl)-diphenylgallane
SMILESCc1cc(C)n([Ga](c2ccccc2)c2ccccc2)n1
InChIInChI=1S/2C6H5.C5H7N2.Ga/c2*1-2-4-6-5-3-1;1-4-3-5(2)7-6-4;/h2*1-5H;3H,1-2H3;/q;;-1;+1
InChIKeyHPNVFIVAQZDZRO-UHFFFAOYSA-N
XLogP2.15
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.06
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3,5-dimethylpyrazol-1-yl)-diphenyl-sulfanylidene-λ5-phosphane
CID 71396910
(3,5-dimethylpyrazol-1-yl)methyl-diphenylphosphane
CID 122397088
2-(3,5-dimethylpyrazol-1-yl)phenol
CID 761553
carbonic acid;2-(3,5-dimethylpyrazol-1-yl)phenol
CID 118510416
3-(3,5-dimethylpyrazol-1-yl)-2-phenylpropanenitrile
CID 64535776
2-(3,5-dimethylpyrazol-1-yl)pyridine
CID 676764
1-tert-butyl-3,5-dimethylpyrazole;phenylmethanamine
CID 139557415
phenyl 3,5-dimethylpyrazole-1-carbodithioate
CID 122387231
bis(3,5-dimethylpyrazol-1-yl)methyl-diphenyl-phenylimino-λ5-phosphane
CID 102337921
bis[2-(3,5-dimethylpyrazol-1-yl)phenyl]diazene
CID 12718144
1-(2-ethylphenyl)-3,5-dimethylpyrazole
CID 39240354
3-(3,5-dimethylpyrazol-1-yl)-1H-indole
CID 3573300

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylpyrazol-1-yl)-diphenylgallane?
The IUPAC name of (3,5-dimethylpyrazol-1-yl)-diphenylgallane (CID 134998652) is (3,5-dimethylpyrazol-1-yl)-diphenylgallane.
What is the SMILES notation for (3,5-dimethylpyrazol-1-yl)-diphenylgallane?
The canonical SMILES for (3,5-dimethylpyrazol-1-yl)-diphenylgallane is Cc1cc(C)n([Ga](c2ccccc2)c2ccccc2)n1.
What is the InChIKey of (3,5-dimethylpyrazol-1-yl)-diphenylgallane?
The InChIKey is HPNVFIVAQZDZRO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H5.C5H7N2.Ga/c2*1-2-4-6-5-3-1;1-4-3-5(2)7-6-4;/h2*1-5H;3H,1-2H3;/q;;-1;+1.
What are the key properties of (3,5-dimethylpyrazol-1-yl)-diphenylgallane?
(3,5-dimethylpyrazol-1-yl)-diphenylgallane has a molecular weight of 319.06 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylpyrazol-1-yl)-diphenylgallane is sourced from PubChem (CID 134998652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).