3-(pyridin-4-ylamino)-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carbonitrile

C15H21N5OSi — CID 86729366

IUPAC3-(pyridin-4-ylamino)-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carbonitrile
SMILESC[Si](C)(C)CCOCn1cc(C#N)c(Nc2ccncc2)n1
InChIInChI=1S/C15H21N5OSi/c1-22(2,3)9-8-21-12-20-11-13(10-16)15(19-20)18-14-4-6-17-7-5-14/h4-7,11H,8-9,12H2,1-3H3,(H,17,18,19)
InChIKeyNGDHKDPOMZBMED-UHFFFAOYSA-N
MW315.45 g/mol
LogP3.21
Rot. Bonds7

About 3-(pyridin-4-ylamino)-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carbonitrile

3-(pyridin-4-ylamino)-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carbonitrile (PubChem CID 86729366) has the molecular formula C15H21N5OSi and a molecular weight of 315.45 g/mol. Its IUPAC name is 3-(pyridin-4-ylamino)-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name3-(pyridin-4-ylamino)-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carbonitrile
PubChem CID86729366
Molecular FormulaC15H21N5OSi
Molecular Weight315.45 g/mol
Exact Mass315.15
IUPAC Name3-(pyridin-4-ylamino)-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carbonitrile
SMILESC[Si](C)(C)CCOCn1cc(C#N)c(Nc2ccncc2)n1
InChIInChI=1S/C15H21N5OSi/c1-22(2,3)9-8-21-12-20-11-13(10-16)15(19-20)18-14-4-6-17-7-5-14/h4-7,11H,8-9,12H2,1-3H3,(H,17,18,19)
InChIKeyNGDHKDPOMZBMED-UHFFFAOYSA-N
XLogP3.21
TPSA75.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.45
LogP ≤ 53.21
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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Frequently Asked Questions

What is the IUPAC name of 3-(pyridin-4-ylamino)-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carbonitrile?
The IUPAC name of 3-(pyridin-4-ylamino)-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carbonitrile (CID 86729366) is 3-(pyridin-4-ylamino)-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carbonitrile.
What is the SMILES notation for 3-(pyridin-4-ylamino)-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carbonitrile?
The canonical SMILES for 3-(pyridin-4-ylamino)-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carbonitrile is C[Si](C)(C)CCOCn1cc(C#N)c(Nc2ccncc2)n1.
What is the InChIKey of 3-(pyridin-4-ylamino)-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carbonitrile?
The InChIKey is NGDHKDPOMZBMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5OSi/c1-22(2,3)9-8-21-12-20-11-13(10-16)15(19-20)18-14-4-6-17-7-5-14/h4-7,11H,8-9,12H2,1-3H3,(H,17,18,19).
What are the key properties of 3-(pyridin-4-ylamino)-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carbonitrile?
3-(pyridin-4-ylamino)-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carbonitrile has a molecular weight of 315.45 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyridin-4-ylamino)-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carbonitrile is sourced from PubChem (CID 86729366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).