(3,5-dimethyl-1-phenylpyrazol-4-yl)-trimethylsilane

C14H20N2Si — CID 130535844

IUPAC(3,5-dimethyl-1-phenylpyrazol-4-yl)-trimethylsilane
SMILESCc1nn(-c2ccccc2)c(C)c1[Si](C)(C)C
InChIInChI=1S/C14H20N2Si/c1-11-14(17(3,4)5)12(2)16(15-11)13-9-7-6-8-10-13/h6-10H,1-5H3
InChIKeyNZXRXOYGROOBDD-UHFFFAOYSA-N
MW244.41 g/mol
LogP3.03
Rot. Bonds2

About (3,5-dimethyl-1-phenylpyrazol-4-yl)-trimethylsilane

(3,5-dimethyl-1-phenylpyrazol-4-yl)-trimethylsilane (PubChem CID 130535844) has the molecular formula C14H20N2Si and a molecular weight of 244.41 g/mol. Its IUPAC name is (3,5-dimethyl-1-phenylpyrazol-4-yl)-trimethylsilane.

Molecular Properties

Compound Name(3,5-dimethyl-1-phenylpyrazol-4-yl)-trimethylsilane
PubChem CID130535844
Molecular FormulaC14H20N2Si
Molecular Weight244.41 g/mol
Exact Mass244.14
IUPAC Name(3,5-dimethyl-1-phenylpyrazol-4-yl)-trimethylsilane
SMILESCc1nn(-c2ccccc2)c(C)c1[Si](C)(C)C
InChIInChI=1S/C14H20N2Si/c1-11-14(17(3,4)5)12(2)16(15-11)13-9-7-6-8-10-13/h6-10H,1-5H3
InChIKeyNZXRXOYGROOBDD-UHFFFAOYSA-N
XLogP3.03
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.41
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methanidyl-3,5-dimethyl-1-phenylpyrazole;yttrium
CID 176877441
2,5-bis(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,3,4-oxadiazole
CID 2740693
(3,5-dimethyl-1-phenylpyrazol-4-yl)methanol
CID 2526674
1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-methylmethanimine
CID 67710570
3,5-dimethyl-1-phenyl-4-[(Z)-prop-1-enyl]pyrazole
CID 143867977
3,5-dimethyl-1-phenyl-4-[(S)-phenylsulfinyl]pyrazole
CID 11860311
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
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)benzenesulfonamide
CID 972247
4,5-dimethyl-1,3-diphenylpyrazole
CID 13258584
5-methyl-1,3,4-triphenylpyrazole
CID 1202580

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1-phenylpyrazol-4-yl)-trimethylsilane?
The IUPAC name of (3,5-dimethyl-1-phenylpyrazol-4-yl)-trimethylsilane (CID 130535844) is (3,5-dimethyl-1-phenylpyrazol-4-yl)-trimethylsilane.
What is the SMILES notation for (3,5-dimethyl-1-phenylpyrazol-4-yl)-trimethylsilane?
The canonical SMILES for (3,5-dimethyl-1-phenylpyrazol-4-yl)-trimethylsilane is Cc1nn(-c2ccccc2)c(C)c1[Si](C)(C)C.
What is the InChIKey of (3,5-dimethyl-1-phenylpyrazol-4-yl)-trimethylsilane?
The InChIKey is NZXRXOYGROOBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2Si/c1-11-14(17(3,4)5)12(2)16(15-11)13-9-7-6-8-10-13/h6-10H,1-5H3.
What are the key properties of (3,5-dimethyl-1-phenylpyrazol-4-yl)-trimethylsilane?
(3,5-dimethyl-1-phenylpyrazol-4-yl)-trimethylsilane has a molecular weight of 244.41 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1-phenylpyrazol-4-yl)-trimethylsilane is sourced from PubChem (CID 130535844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).