trimethyl-[2-[4-(4-nitrophenyl)-1H-pyrazol-5-yl]ethynyl]silane

C14H15N3O2Si — CID 71489515

IUPACtrimethyl-[2-[4-(4-nitrophenyl)-1H-pyrazol-5-yl]ethynyl]silane
SMILESC[Si](C)(C)C#Cc1[nH]ncc1-c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H15N3O2Si/c1-20(2,3)9-8-14-13(10-15-16-14)11-4-6-12(7-5-11)17(18)19/h4-7,10H,1-3H3,(H,15,16)
InChIKeyNPHYVBWEFWXMNC-UHFFFAOYSA-N
MW285.38 g/mol
LogP3.21
Rot. Bonds2

About trimethyl-[2-[4-(4-nitrophenyl)-1H-pyrazol-5-yl]ethynyl]silane

trimethyl-[2-[4-(4-nitrophenyl)-1H-pyrazol-5-yl]ethynyl]silane (PubChem CID 71489515) has the molecular formula C14H15N3O2Si and a molecular weight of 285.38 g/mol. Its IUPAC name is trimethyl-[2-[4-(4-nitrophenyl)-1H-pyrazol-5-yl]ethynyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[4-(4-nitrophenyl)-1H-pyrazol-5-yl]ethynyl]silane
PubChem CID71489515
Molecular FormulaC14H15N3O2Si
Molecular Weight285.38 g/mol
Exact Mass285.09
IUPAC Nametrimethyl-[2-[4-(4-nitrophenyl)-1H-pyrazol-5-yl]ethynyl]silane
SMILESC[Si](C)(C)C#Cc1[nH]ncc1-c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H15N3O2Si/c1-20(2,3)9-8-14-13(10-15-16-14)11-4-6-12(7-5-11)17(18)19/h4-7,10H,1-3H3,(H,15,16)
InChIKeyNPHYVBWEFWXMNC-UHFFFAOYSA-N
XLogP3.21
TPSA71.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[4-(4-nitrophenyl)-1H-pyrazol-5-yl]ethynyl]silane?
The IUPAC name of trimethyl-[2-[4-(4-nitrophenyl)-1H-pyrazol-5-yl]ethynyl]silane (CID 71489515) is trimethyl-[2-[4-(4-nitrophenyl)-1H-pyrazol-5-yl]ethynyl]silane.
What is the SMILES notation for trimethyl-[2-[4-(4-nitrophenyl)-1H-pyrazol-5-yl]ethynyl]silane?
The canonical SMILES for trimethyl-[2-[4-(4-nitrophenyl)-1H-pyrazol-5-yl]ethynyl]silane is C[Si](C)(C)C#Cc1[nH]ncc1-c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of trimethyl-[2-[4-(4-nitrophenyl)-1H-pyrazol-5-yl]ethynyl]silane?
The InChIKey is NPHYVBWEFWXMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2Si/c1-20(2,3)9-8-14-13(10-15-16-14)11-4-6-12(7-5-11)17(18)19/h4-7,10H,1-3H3,(H,15,16).
What are the key properties of trimethyl-[2-[4-(4-nitrophenyl)-1H-pyrazol-5-yl]ethynyl]silane?
trimethyl-[2-[4-(4-nitrophenyl)-1H-pyrazol-5-yl]ethynyl]silane has a molecular weight of 285.38 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[4-(4-nitrophenyl)-1H-pyrazol-5-yl]ethynyl]silane is sourced from PubChem (CID 71489515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).