5-(imidazol-1-ylmethyl)-2-[4-(1H-pyrazol-4-yl)phenyl]pyridine

C18H15N5 — CID 155918504

IUPAC5-(imidazol-1-ylmethyl)-2-[4-(1H-pyrazol-4-yl)phenyl]pyridine
SMILESc1cn(Cc2ccc(-c3ccc(-c4cn[nH]c4)cc3)nc2)cn1
InChIInChI=1S/C18H15N5/c1-6-18(20-9-14(1)12-23-8-7-19-13-23)16-4-2-15(3-5-16)17-10-21-22-11-17/h1-11,13H,12H2,(H,21,22)
InChIKeyITTIKCOQZOODSA-UHFFFAOYSA-N
MW301.35 g/mol
LogP3.38
Rot. Bonds4

About 5-(imidazol-1-ylmethyl)-2-[4-(1H-pyrazol-4-yl)phenyl]pyridine

5-(imidazol-1-ylmethyl)-2-[4-(1H-pyrazol-4-yl)phenyl]pyridine (PubChem CID 155918504) has the molecular formula C18H15N5 and a molecular weight of 301.35 g/mol. Its IUPAC name is 5-(imidazol-1-ylmethyl)-2-[4-(1H-pyrazol-4-yl)phenyl]pyridine.

Molecular Properties

Compound Name5-(imidazol-1-ylmethyl)-2-[4-(1H-pyrazol-4-yl)phenyl]pyridine
PubChem CID155918504
Molecular FormulaC18H15N5
Molecular Weight301.35 g/mol
Exact Mass301.13
IUPAC Name5-(imidazol-1-ylmethyl)-2-[4-(1H-pyrazol-4-yl)phenyl]pyridine
SMILESc1cn(Cc2ccc(-c3ccc(-c4cn[nH]c4)cc3)nc2)cn1
InChIInChI=1S/C18H15N5/c1-6-18(20-9-14(1)12-23-8-7-19-13-23)16-4-2-15(3-5-16)17-10-21-22-11-17/h1-11,13H,12H2,(H,21,22)
InChIKeyITTIKCOQZOODSA-UHFFFAOYSA-N
XLogP3.38
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(imidazol-1-ylmethyl)-2-[4-(1H-pyrazol-4-yl)phenyl]pyridine?
The IUPAC name of 5-(imidazol-1-ylmethyl)-2-[4-(1H-pyrazol-4-yl)phenyl]pyridine (CID 155918504) is 5-(imidazol-1-ylmethyl)-2-[4-(1H-pyrazol-4-yl)phenyl]pyridine.
What is the SMILES notation for 5-(imidazol-1-ylmethyl)-2-[4-(1H-pyrazol-4-yl)phenyl]pyridine?
The canonical SMILES for 5-(imidazol-1-ylmethyl)-2-[4-(1H-pyrazol-4-yl)phenyl]pyridine is c1cn(Cc2ccc(-c3ccc(-c4cn[nH]c4)cc3)nc2)cn1.
What is the InChIKey of 5-(imidazol-1-ylmethyl)-2-[4-(1H-pyrazol-4-yl)phenyl]pyridine?
The InChIKey is ITTIKCOQZOODSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5/c1-6-18(20-9-14(1)12-23-8-7-19-13-23)16-4-2-15(3-5-16)17-10-21-22-11-17/h1-11,13H,12H2,(H,21,22).
What are the key properties of 5-(imidazol-1-ylmethyl)-2-[4-(1H-pyrazol-4-yl)phenyl]pyridine?
5-(imidazol-1-ylmethyl)-2-[4-(1H-pyrazol-4-yl)phenyl]pyridine has a molecular weight of 301.35 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(imidazol-1-ylmethyl)-2-[4-(1H-pyrazol-4-yl)phenyl]pyridine is sourced from PubChem (CID 155918504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).