4-[5-[(3,5-dimethoxyphenyl)methyl]-1H-pyrazol-3-yl]pyridine

C17H17N3O2 — CID 69315255

IUPAC4-[5-[(3,5-dimethoxyphenyl)methyl]-1H-pyrazol-3-yl]pyridine
SMILESCOc1cc(Cc2cc(-c3ccncc3)n[nH]2)cc(OC)c1
InChIInChI=1S/C17H17N3O2/c1-21-15-8-12(9-16(11-15)22-2)7-14-10-17(20-19-14)13-3-5-18-6-4-13/h3-6,8-11H,7H2,1-2H3,(H,19,20)
InChIKeyPGTFQPQZZROQAY-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.08
Rot. Bonds5

About 4-[5-[(3,5-dimethoxyphenyl)methyl]-1H-pyrazol-3-yl]pyridine

4-[5-[(3,5-dimethoxyphenyl)methyl]-1H-pyrazol-3-yl]pyridine (PubChem CID 69315255) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 4-[5-[(3,5-dimethoxyphenyl)methyl]-1H-pyrazol-3-yl]pyridine.

Molecular Properties

Compound Name4-[5-[(3,5-dimethoxyphenyl)methyl]-1H-pyrazol-3-yl]pyridine
PubChem CID69315255
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name4-[5-[(3,5-dimethoxyphenyl)methyl]-1H-pyrazol-3-yl]pyridine
SMILESCOc1cc(Cc2cc(-c3ccncc3)n[nH]2)cc(OC)c1
InChIInChI=1S/C17H17N3O2/c1-21-15-8-12(9-16(11-15)22-2)7-14-10-17(20-19-14)13-3-5-18-6-4-13/h3-6,8-11H,7H2,1-2H3,(H,19,20)
InChIKeyPGTFQPQZZROQAY-UHFFFAOYSA-N
XLogP3.08
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[(3,5-dimethoxyphenyl)methyl]-1H-pyrazol-3-yl]pyridine?
The IUPAC name of 4-[5-[(3,5-dimethoxyphenyl)methyl]-1H-pyrazol-3-yl]pyridine (CID 69315255) is 4-[5-[(3,5-dimethoxyphenyl)methyl]-1H-pyrazol-3-yl]pyridine.
What is the SMILES notation for 4-[5-[(3,5-dimethoxyphenyl)methyl]-1H-pyrazol-3-yl]pyridine?
The canonical SMILES for 4-[5-[(3,5-dimethoxyphenyl)methyl]-1H-pyrazol-3-yl]pyridine is COc1cc(Cc2cc(-c3ccncc3)n[nH]2)cc(OC)c1.
What is the InChIKey of 4-[5-[(3,5-dimethoxyphenyl)methyl]-1H-pyrazol-3-yl]pyridine?
The InChIKey is PGTFQPQZZROQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-21-15-8-12(9-16(11-15)22-2)7-14-10-17(20-19-14)13-3-5-18-6-4-13/h3-6,8-11H,7H2,1-2H3,(H,19,20).
What are the key properties of 4-[5-[(3,5-dimethoxyphenyl)methyl]-1H-pyrazol-3-yl]pyridine?
4-[5-[(3,5-dimethoxyphenyl)methyl]-1H-pyrazol-3-yl]pyridine has a molecular weight of 295.34 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(3,5-dimethoxyphenyl)methyl]-1H-pyrazol-3-yl]pyridine is sourced from PubChem (CID 69315255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).