3-[4-amino-1-[2-(trimethylsilylmethoxy)ethyl]pyrazol-5-yl]-4-methoxybenzonitrile

C17H24N4O2Si — CID 66850663

IUPAC3-[4-amino-1-[2-(trimethylsilylmethoxy)ethyl]pyrazol-5-yl]-4-methoxybenzonitrile
SMILESCOc1ccc(C#N)cc1-c1c(N)cnn1CCOC[Si](C)(C)C
InChIInChI=1S/C17H24N4O2Si/c1-22-16-6-5-13(10-18)9-14(16)17-15(19)11-20-21(17)7-8-23-12-24(2,3)4/h5-6,9,11H,7-8,12,19H2,1-4H3
InChIKeyMGNMBHJNZWKJPP-UHFFFAOYSA-N
MW344.49 g/mol
LogP2.91
Rot. Bonds7

About 3-[4-amino-1-[2-(trimethylsilylmethoxy)ethyl]pyrazol-5-yl]-4-methoxybenzonitrile

3-[4-amino-1-[2-(trimethylsilylmethoxy)ethyl]pyrazol-5-yl]-4-methoxybenzonitrile (PubChem CID 66850663) has the molecular formula C17H24N4O2Si and a molecular weight of 344.49 g/mol. Its IUPAC name is 3-[4-amino-1-[2-(trimethylsilylmethoxy)ethyl]pyrazol-5-yl]-4-methoxybenzonitrile.

Molecular Properties

Compound Name3-[4-amino-1-[2-(trimethylsilylmethoxy)ethyl]pyrazol-5-yl]-4-methoxybenzonitrile
PubChem CID66850663
Molecular FormulaC17H24N4O2Si
Molecular Weight344.49 g/mol
Exact Mass344.17
IUPAC Name3-[4-amino-1-[2-(trimethylsilylmethoxy)ethyl]pyrazol-5-yl]-4-methoxybenzonitrile
SMILESCOc1ccc(C#N)cc1-c1c(N)cnn1CCOC[Si](C)(C)C
InChIInChI=1S/C17H24N4O2Si/c1-22-16-6-5-13(10-18)9-14(16)17-15(19)11-20-21(17)7-8-23-12-24(2,3)4/h5-6,9,11H,7-8,12,19H2,1-4H3
InChIKeyMGNMBHJNZWKJPP-UHFFFAOYSA-N
XLogP2.91
TPSA86.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.49
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(5-amino-1,3,4-thiadiazol-2-yl)-4-methoxybenzonitrile
CID 106951468
4-methoxy-3-[1-(2-methylpropyl)pyrazol-4-yl]benzonitrile
CID 172914962
3-(4-amino-1,2,5-thiadiazol-3-yl)-4-methoxybenzonitrile
CID 106951514
3-(6-bromo-2-pyridinyl)-4-methoxybenzonitrile
CID 106951430
3-methoxy-4-[1-(2-methoxyethyl)pyrazol-4-yl]benzonitrile
CID 172914750
3-[5-[(1R,2S)-2-aminocyclopropyl]-2-pyridinyl]-4-methoxybenzonitrile
CID 56654705
4-methoxy-3-(3-morpholin-4-ylpropoxy)benzonitrile
CID 10356088
3-[3-(aminomethyl)-4-methoxyphenyl]-4-methoxybenzonitrile
CID 106951075
3-(6-amino-3,5-dichloro-2-pyridinyl)-4-methoxybenzonitrile
CID 106951535
4-methoxy-3-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)benzonitrile
CID 106951673
3-[1-[3-(cyanomethyl)oxetan-3-yl]pyrazol-3-yl]-4-methoxybenzonitrile
CID 141405324
3-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-4-methoxybenzonitrile
CID 106951503

Frequently Asked Questions

What is the IUPAC name of 3-[4-amino-1-[2-(trimethylsilylmethoxy)ethyl]pyrazol-5-yl]-4-methoxybenzonitrile?
The IUPAC name of 3-[4-amino-1-[2-(trimethylsilylmethoxy)ethyl]pyrazol-5-yl]-4-methoxybenzonitrile (CID 66850663) is 3-[4-amino-1-[2-(trimethylsilylmethoxy)ethyl]pyrazol-5-yl]-4-methoxybenzonitrile.
What is the SMILES notation for 3-[4-amino-1-[2-(trimethylsilylmethoxy)ethyl]pyrazol-5-yl]-4-methoxybenzonitrile?
The canonical SMILES for 3-[4-amino-1-[2-(trimethylsilylmethoxy)ethyl]pyrazol-5-yl]-4-methoxybenzonitrile is COc1ccc(C#N)cc1-c1c(N)cnn1CCOC[Si](C)(C)C.
What is the InChIKey of 3-[4-amino-1-[2-(trimethylsilylmethoxy)ethyl]pyrazol-5-yl]-4-methoxybenzonitrile?
The InChIKey is MGNMBHJNZWKJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2Si/c1-22-16-6-5-13(10-18)9-14(16)17-15(19)11-20-21(17)7-8-23-12-24(2,3)4/h5-6,9,11H,7-8,12,19H2,1-4H3.
What are the key properties of 3-[4-amino-1-[2-(trimethylsilylmethoxy)ethyl]pyrazol-5-yl]-4-methoxybenzonitrile?
3-[4-amino-1-[2-(trimethylsilylmethoxy)ethyl]pyrazol-5-yl]-4-methoxybenzonitrile has a molecular weight of 344.49 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-amino-1-[2-(trimethylsilylmethoxy)ethyl]pyrazol-5-yl]-4-methoxybenzonitrile is sourced from PubChem (CID 66850663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).