4-[3-(3-methoxy-4-methylphenyl)-5-methyl-1H-pyrazol-4-yl]pyridine

C17H17N3O — CID 22037265

IUPAC4-[3-(3-methoxy-4-methylphenyl)-5-methyl-1H-pyrazol-4-yl]pyridine
SMILESCOc1cc(-c2n[nH]c(C)c2-c2ccncc2)ccc1C
InChIInChI=1S/C17H17N3O/c1-11-4-5-14(10-15(11)21-3)17-16(12(2)19-20-17)13-6-8-18-9-7-13/h4-10H,1-3H3,(H,19,20)
InChIKeyKANKIVVPPPQBJH-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.76
Rot. Bonds3

About 4-[3-(3-methoxy-4-methylphenyl)-5-methyl-1H-pyrazol-4-yl]pyridine

4-[3-(3-methoxy-4-methylphenyl)-5-methyl-1H-pyrazol-4-yl]pyridine (PubChem CID 22037265) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-[3-(3-methoxy-4-methylphenyl)-5-methyl-1H-pyrazol-4-yl]pyridine.

Molecular Properties

Compound Name4-[3-(3-methoxy-4-methylphenyl)-5-methyl-1H-pyrazol-4-yl]pyridine
PubChem CID22037265
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name4-[3-(3-methoxy-4-methylphenyl)-5-methyl-1H-pyrazol-4-yl]pyridine
SMILESCOc1cc(-c2n[nH]c(C)c2-c2ccncc2)ccc1C
InChIInChI=1S/C17H17N3O/c1-11-4-5-14(10-15(11)21-3)17-16(12(2)19-20-17)13-6-8-18-9-7-13/h4-10H,1-3H3,(H,19,20)
InChIKeyKANKIVVPPPQBJH-UHFFFAOYSA-N
XLogP3.76
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-methoxy-4-methylphenyl)-5-methyl-1H-pyrazol-4-yl]pyridine?
The IUPAC name of 4-[3-(3-methoxy-4-methylphenyl)-5-methyl-1H-pyrazol-4-yl]pyridine (CID 22037265) is 4-[3-(3-methoxy-4-methylphenyl)-5-methyl-1H-pyrazol-4-yl]pyridine.
What is the SMILES notation for 4-[3-(3-methoxy-4-methylphenyl)-5-methyl-1H-pyrazol-4-yl]pyridine?
The canonical SMILES for 4-[3-(3-methoxy-4-methylphenyl)-5-methyl-1H-pyrazol-4-yl]pyridine is COc1cc(-c2n[nH]c(C)c2-c2ccncc2)ccc1C.
What is the InChIKey of 4-[3-(3-methoxy-4-methylphenyl)-5-methyl-1H-pyrazol-4-yl]pyridine?
The InChIKey is KANKIVVPPPQBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-11-4-5-14(10-15(11)21-3)17-16(12(2)19-20-17)13-6-8-18-9-7-13/h4-10H,1-3H3,(H,19,20).
What are the key properties of 4-[3-(3-methoxy-4-methylphenyl)-5-methyl-1H-pyrazol-4-yl]pyridine?
4-[3-(3-methoxy-4-methylphenyl)-5-methyl-1H-pyrazol-4-yl]pyridine has a molecular weight of 279.34 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-methoxy-4-methylphenyl)-5-methyl-1H-pyrazol-4-yl]pyridine is sourced from PubChem (CID 22037265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).