trimethyl-[2-[(7-nitro-4H-chromeno[3,4-c]pyrazol-2-yl)methoxy]ethyl]silane

C16H21N3O4Si — CID 151601969

IUPACtrimethyl-[2-[(7-nitro-4H-chromeno[3,4-c]pyrazol-2-yl)methoxy]ethyl]silane
SMILESC[Si](C)(C)CCOCn1cc2c(n1)COc1cc([N+](=O)[O-])ccc1-2
InChIInChI=1S/C16H21N3O4Si/c1-24(2,3)7-6-22-11-18-9-14-13-5-4-12(19(20)21)8-16(13)23-10-15(14)17-18/h4-5,8-9H,6-7,10-11H2,1-3H3
InChIKeyQKRGCZMOEQDGKO-UHFFFAOYSA-N
MW347.45 g/mol
LogP3.66
Rot. Bonds6

About trimethyl-[2-[(7-nitro-4H-chromeno[3,4-c]pyrazol-2-yl)methoxy]ethyl]silane

trimethyl-[2-[(7-nitro-4H-chromeno[3,4-c]pyrazol-2-yl)methoxy]ethyl]silane (PubChem CID 151601969) has the molecular formula C16H21N3O4Si and a molecular weight of 347.45 g/mol. Its IUPAC name is trimethyl-[2-[(7-nitro-4H-chromeno[3,4-c]pyrazol-2-yl)methoxy]ethyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[(7-nitro-4H-chromeno[3,4-c]pyrazol-2-yl)methoxy]ethyl]silane
PubChem CID151601969
Molecular FormulaC16H21N3O4Si
Molecular Weight347.45 g/mol
Exact Mass347.13
IUPAC Nametrimethyl-[2-[(7-nitro-4H-chromeno[3,4-c]pyrazol-2-yl)methoxy]ethyl]silane
SMILESC[Si](C)(C)CCOCn1cc2c(n1)COc1cc([N+](=O)[O-])ccc1-2
InChIInChI=1S/C16H21N3O4Si/c1-24(2,3)7-6-22-11-18-9-14-13-5-4-12(19(20)21)8-16(13)23-10-15(14)17-18/h4-5,8-9H,6-7,10-11H2,1-3H3
InChIKeyQKRGCZMOEQDGKO-UHFFFAOYSA-N
XLogP3.66
TPSA79.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.45
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(7-nitro-4H-chromeno[3,4-c]pyrazol-2-yl) thiohypofluorite
CID 155112470
1-[(4-Nitrophenyl)methyl]-4-(2-piperidin-1-ylethoxy)indazole
CID 20814976
4-(2-(2-(1-methyl-1H-pyrazol-5-yl)-4-nitrophenoxy)ethyl)morpholine
CID 46832481
4-(2-methoxy-4-nitrophenyl)-1-methyl-1H-pyrazole
CID 66860472
5-(2-Methoxy-4-nitrophenyl)-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazole
CID 70656415
[2-(1-Methylpyrazol-4-yl)-5-nitrophenoxy]methanamine
CID 70799401
1-benzyl-4-(2-methoxy-4-nitrophenyl)-1H-pyrazole
CID 117800377
5-(2-Methoxy-4-nitrophenyl)-1-methylpyrazole
CID 117855335
3-(2-Methoxy-4-nitrophenyl)-1-methylpyrazole
CID 117855336
7-Nitro-3,4-dihydrochromeno[4,3-d]pyrazole
CID 134578189
Methoxy-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-oxoazanium
CID 143232394
2-[2-(1-Methylpyrazol-4-yl)-5-nitrophenoxy]acetonitrile
CID 144133186

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[(7-nitro-4H-chromeno[3,4-c]pyrazol-2-yl)methoxy]ethyl]silane?
The IUPAC name of trimethyl-[2-[(7-nitro-4H-chromeno[3,4-c]pyrazol-2-yl)methoxy]ethyl]silane (CID 151601969) is trimethyl-[2-[(7-nitro-4H-chromeno[3,4-c]pyrazol-2-yl)methoxy]ethyl]silane.
What is the SMILES notation for trimethyl-[2-[(7-nitro-4H-chromeno[3,4-c]pyrazol-2-yl)methoxy]ethyl]silane?
The canonical SMILES for trimethyl-[2-[(7-nitro-4H-chromeno[3,4-c]pyrazol-2-yl)methoxy]ethyl]silane is C[Si](C)(C)CCOCn1cc2c(n1)COc1cc([N+](=O)[O-])ccc1-2.
What is the InChIKey of trimethyl-[2-[(7-nitro-4H-chromeno[3,4-c]pyrazol-2-yl)methoxy]ethyl]silane?
The InChIKey is QKRGCZMOEQDGKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4Si/c1-24(2,3)7-6-22-11-18-9-14-13-5-4-12(19(20)21)8-16(13)23-10-15(14)17-18/h4-5,8-9H,6-7,10-11H2,1-3H3.
What are the key properties of trimethyl-[2-[(7-nitro-4H-chromeno[3,4-c]pyrazol-2-yl)methoxy]ethyl]silane?
trimethyl-[2-[(7-nitro-4H-chromeno[3,4-c]pyrazol-2-yl)methoxy]ethyl]silane has a molecular weight of 347.45 g/mol, XLogP of 3.66, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[(7-nitro-4H-chromeno[3,4-c]pyrazol-2-yl)methoxy]ethyl]silane is sourced from PubChem (CID 151601969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).