2-[3-(3-imidazol-1-yl-4-methylphenyl)-1H-pyrazol-5-yl]-6-methylpyridine

C19H17N5 — CID 141360624

IUPAC2-[3-(3-imidazol-1-yl-4-methylphenyl)-1H-pyrazol-5-yl]-6-methylpyridine
SMILESCc1cccc(-c2cc(-c3ccc(C)c(-n4ccnc4)c3)n[nH]2)n1
InChIInChI=1S/C19H17N5/c1-13-6-7-15(10-19(13)24-9-8-20-12-24)17-11-18(23-22-17)16-5-3-4-14(2)21-16/h3-12H,1-2H3,(H,22,23)
InChIKeySWBXJYADEFTJMF-UHFFFAOYSA-N
MW315.38 g/mol
LogP3.94
Rot. Bonds3

About 2-[3-(3-imidazol-1-yl-4-methylphenyl)-1H-pyrazol-5-yl]-6-methylpyridine

2-[3-(3-imidazol-1-yl-4-methylphenyl)-1H-pyrazol-5-yl]-6-methylpyridine (PubChem CID 141360624) has the molecular formula C19H17N5 and a molecular weight of 315.38 g/mol. Its IUPAC name is 2-[3-(3-imidazol-1-yl-4-methylphenyl)-1H-pyrazol-5-yl]-6-methylpyridine.

Molecular Properties

Compound Name2-[3-(3-imidazol-1-yl-4-methylphenyl)-1H-pyrazol-5-yl]-6-methylpyridine
PubChem CID141360624
Molecular FormulaC19H17N5
Molecular Weight315.38 g/mol
Exact Mass315.15
IUPAC Name2-[3-(3-imidazol-1-yl-4-methylphenyl)-1H-pyrazol-5-yl]-6-methylpyridine
SMILESCc1cccc(-c2cc(-c3ccc(C)c(-n4ccnc4)c3)n[nH]2)n1
InChIInChI=1S/C19H17N5/c1-13-6-7-15(10-19(13)24-9-8-20-12-24)17-11-18(23-22-17)16-5-3-4-14(2)21-16/h3-12H,1-2H3,(H,22,23)
InChIKeySWBXJYADEFTJMF-UHFFFAOYSA-N
XLogP3.94
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-imidazol-1-yl-4-methylphenyl)-1H-pyrazol-5-yl]-6-methylpyridine?
The IUPAC name of 2-[3-(3-imidazol-1-yl-4-methylphenyl)-1H-pyrazol-5-yl]-6-methylpyridine (CID 141360624) is 2-[3-(3-imidazol-1-yl-4-methylphenyl)-1H-pyrazol-5-yl]-6-methylpyridine.
What is the SMILES notation for 2-[3-(3-imidazol-1-yl-4-methylphenyl)-1H-pyrazol-5-yl]-6-methylpyridine?
The canonical SMILES for 2-[3-(3-imidazol-1-yl-4-methylphenyl)-1H-pyrazol-5-yl]-6-methylpyridine is Cc1cccc(-c2cc(-c3ccc(C)c(-n4ccnc4)c3)n[nH]2)n1.
What is the InChIKey of 2-[3-(3-imidazol-1-yl-4-methylphenyl)-1H-pyrazol-5-yl]-6-methylpyridine?
The InChIKey is SWBXJYADEFTJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5/c1-13-6-7-15(10-19(13)24-9-8-20-12-24)17-11-18(23-22-17)16-5-3-4-14(2)21-16/h3-12H,1-2H3,(H,22,23).
What are the key properties of 2-[3-(3-imidazol-1-yl-4-methylphenyl)-1H-pyrazol-5-yl]-6-methylpyridine?
2-[3-(3-imidazol-1-yl-4-methylphenyl)-1H-pyrazol-5-yl]-6-methylpyridine has a molecular weight of 315.38 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-imidazol-1-yl-4-methylphenyl)-1H-pyrazol-5-yl]-6-methylpyridine is sourced from PubChem (CID 141360624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).