6-chloro-4-[4-nitro-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]pyridin-3-amine

C14H20ClN5O3Si — CID 171630115

IUPAC6-chloro-4-[4-nitro-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]pyridin-3-amine
SMILESC[Si](C)(C)CCOCn1ncc([N+](=O)[O-])c1-c1cc(Cl)ncc1N
InChIInChI=1S/C14H20ClN5O3Si/c1-24(2,3)5-4-23-9-19-14(12(8-18-19)20(21)22)10-6-13(15)17-7-11(10)16/h6-8H,4-5,9,16H2,1-3H3
InChIKeyVAYNQFKHTKJBAR-UHFFFAOYSA-N
MW369.89 g/mol
LogP3.40
Rot. Bonds7

About 6-chloro-4-[4-nitro-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]pyridin-3-amine

6-chloro-4-[4-nitro-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]pyridin-3-amine (PubChem CID 171630115) has the molecular formula C14H20ClN5O3Si and a molecular weight of 369.89 g/mol. Its IUPAC name is 6-chloro-4-[4-nitro-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]pyridin-3-amine.

Molecular Properties

Compound Name6-chloro-4-[4-nitro-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]pyridin-3-amine
PubChem CID171630115
Molecular FormulaC14H20ClN5O3Si
Molecular Weight369.89 g/mol
Exact Mass369.10
IUPAC Name6-chloro-4-[4-nitro-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]pyridin-3-amine
SMILESC[Si](C)(C)CCOCn1ncc([N+](=O)[O-])c1-c1cc(Cl)ncc1N
InChIInChI=1S/C14H20ClN5O3Si/c1-24(2,3)5-4-23-9-19-14(12(8-18-19)20(21)22)10-6-13(15)17-7-11(10)16/h6-8H,4-5,9,16H2,1-3H3
InChIKeyVAYNQFKHTKJBAR-UHFFFAOYSA-N
XLogP3.40
TPSA109.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.89
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'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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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-[4-nitro-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]pyridin-3-amine?
The IUPAC name of 6-chloro-4-[4-nitro-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]pyridin-3-amine (CID 171630115) is 6-chloro-4-[4-nitro-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]pyridin-3-amine.
What is the SMILES notation for 6-chloro-4-[4-nitro-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]pyridin-3-amine?
The canonical SMILES for 6-chloro-4-[4-nitro-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]pyridin-3-amine is C[Si](C)(C)CCOCn1ncc([N+](=O)[O-])c1-c1cc(Cl)ncc1N.
What is the InChIKey of 6-chloro-4-[4-nitro-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]pyridin-3-amine?
The InChIKey is VAYNQFKHTKJBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN5O3Si/c1-24(2,3)5-4-23-9-19-14(12(8-18-19)20(21)22)10-6-13(15)17-7-11(10)16/h6-8H,4-5,9,16H2,1-3H3.
What are the key properties of 6-chloro-4-[4-nitro-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]pyridin-3-amine?
6-chloro-4-[4-nitro-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]pyridin-3-amine has a molecular weight of 369.89 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-[4-nitro-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]pyridin-3-amine is sourced from PubChem (CID 171630115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).