2-chloro-3-[(E)-2-methoxyethenyl]-6-methyl-4-(3-pyrazol-1-ylpyrazol-1-yl)pyridine

C15H14ClN5O — CID 87856658

IUPAC2-chloro-3-[(E)-2-methoxyethenyl]-6-methyl-4-(3-pyrazol-1-ylpyrazol-1-yl)pyridine
SMILESCO/C=C/c1c(-n2ccc(-n3cccn3)n2)cc(C)nc1Cl
InChIInChI=1S/C15H14ClN5O/c1-11-10-13(12(5-9-22-2)15(16)18-11)20-8-4-14(19-20)21-7-3-6-17-21/h3-10H,1-2H3/b9-5+
InChIKeyVRHZQVYBBQOJFB-WEVVVXLNSA-N
MW315.76 g/mol
LogP3.03
Rot. Bonds4

About 2-chloro-3-[(E)-2-methoxyethenyl]-6-methyl-4-(3-pyrazol-1-ylpyrazol-1-yl)pyridine

2-chloro-3-[(E)-2-methoxyethenyl]-6-methyl-4-(3-pyrazol-1-ylpyrazol-1-yl)pyridine (PubChem CID 87856658) has the molecular formula C15H14ClN5O and a molecular weight of 315.76 g/mol. Its IUPAC name is 2-chloro-3-[(E)-2-methoxyethenyl]-6-methyl-4-(3-pyrazol-1-ylpyrazol-1-yl)pyridine.

Molecular Properties

Compound Name2-chloro-3-[(E)-2-methoxyethenyl]-6-methyl-4-(3-pyrazol-1-ylpyrazol-1-yl)pyridine
PubChem CID87856658
Molecular FormulaC15H14ClN5O
Molecular Weight315.76 g/mol
Exact Mass315.09
IUPAC Name2-chloro-3-[(E)-2-methoxyethenyl]-6-methyl-4-(3-pyrazol-1-ylpyrazol-1-yl)pyridine
SMILESCO/C=C/c1c(-n2ccc(-n3cccn3)n2)cc(C)nc1Cl
InChIInChI=1S/C15H14ClN5O/c1-11-10-13(12(5-9-22-2)15(16)18-11)20-8-4-14(19-20)21-7-3-6-17-21/h3-10H,1-2H3/b9-5+
InChIKeyVRHZQVYBBQOJFB-WEVVVXLNSA-N
XLogP3.03
TPSA57.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 2-chloro-3-[(E)-2-methoxyethenyl]-6-methyl-4-(3-pyrazol-1-ylpyrazol-1-yl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-methyl-4-(3-pyrazol-1-ylpyrazol-1-yl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-ide;tungsten
CID 58835317
4-methyl-6-pyrazol-1-ylpyrimidin-2-amine
CID 14157472
4-chloro-2,6-di(pyrazol-1-yl)pyridine
CID 170900675
2,6-di(pyrazol-1-yl)pyridine;ethane
CID 144724019
2,6-di(pyrazol-1-yl)pyridine;ethane
CID 161004059
1-[(4-methoxyphenyl)methyl]-3-[1-[1-(2-methoxy-4-pyrazol-1-ylphenyl)-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]imidazolidin-2-one
CID 67312128
4-(2-phenylethenyl)-2,6-di(pyrazol-1-yl)pyridine
CID 123864479
cobalt;2,6-di(pyrazol-1-yl)pyridine
CID 175285024
1-[1-[2-chloro-3-(2-hydroxypropyl)-6-methyl-4-pyridinyl]pyrazol-3-yl]-3-[(4-methoxyphenyl)methyl]imidazolidin-2-one
CID 87351644
5-chloro-2-methyl-6-pyrazol-1-ylpyridin-3-amine
CID 134610413
4,6-dimethyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pyrimidin-2-amine
CID 32805633
1-(2-bromo-5-methylphenyl)pyrazole
CID 130121317

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-[(E)-2-methoxyethenyl]-6-methyl-4-(3-pyrazol-1-ylpyrazol-1-yl)pyridine?
The IUPAC name of 2-chloro-3-[(E)-2-methoxyethenyl]-6-methyl-4-(3-pyrazol-1-ylpyrazol-1-yl)pyridine (CID 87856658) is 2-chloro-3-[(E)-2-methoxyethenyl]-6-methyl-4-(3-pyrazol-1-ylpyrazol-1-yl)pyridine.
What is the SMILES notation for 2-chloro-3-[(E)-2-methoxyethenyl]-6-methyl-4-(3-pyrazol-1-ylpyrazol-1-yl)pyridine?
The canonical SMILES for 2-chloro-3-[(E)-2-methoxyethenyl]-6-methyl-4-(3-pyrazol-1-ylpyrazol-1-yl)pyridine is CO/C=C/c1c(-n2ccc(-n3cccn3)n2)cc(C)nc1Cl.
What is the InChIKey of 2-chloro-3-[(E)-2-methoxyethenyl]-6-methyl-4-(3-pyrazol-1-ylpyrazol-1-yl)pyridine?
The InChIKey is VRHZQVYBBQOJFB-WEVVVXLNSA-N. The full InChI is InChI=1S/C15H14ClN5O/c1-11-10-13(12(5-9-22-2)15(16)18-11)20-8-4-14(19-20)21-7-3-6-17-21/h3-10H,1-2H3/b9-5+.
What are the key properties of 2-chloro-3-[(E)-2-methoxyethenyl]-6-methyl-4-(3-pyrazol-1-ylpyrazol-1-yl)pyridine?
2-chloro-3-[(E)-2-methoxyethenyl]-6-methyl-4-(3-pyrazol-1-ylpyrazol-1-yl)pyridine has a molecular weight of 315.76 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-[(E)-2-methoxyethenyl]-6-methyl-4-(3-pyrazol-1-ylpyrazol-1-yl)pyridine is sourced from PubChem (CID 87856658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).