3-[[3-(3-phenylphenyl)pyrazol-1-yl]methyl]pyridine-4-carboxamide

C22H18N4O — CID 169043311

IUPAC3-[[3-(3-phenylphenyl)pyrazol-1-yl]methyl]pyridine-4-carboxamide
SMILESNC(=O)c1ccncc1Cn1ccc(-c2cccc(-c3ccccc3)c2)n1
InChIInChI=1S/C22H18N4O/c23-22(27)20-9-11-24-14-19(20)15-26-12-10-21(25-26)18-8-4-7-17(13-18)16-5-2-1-3-6-16/h1-14H,15H2,(H2,23,27)
InChIKeyCOYULXOAGHAOPU-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.76
Rot. Bonds5

About 3-[[3-(3-phenylphenyl)pyrazol-1-yl]methyl]pyridine-4-carboxamide

3-[[3-(3-phenylphenyl)pyrazol-1-yl]methyl]pyridine-4-carboxamide (PubChem CID 169043311) has the molecular formula C22H18N4O and a molecular weight of 354.41 g/mol. Its IUPAC name is 3-[[3-(3-phenylphenyl)pyrazol-1-yl]methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-[[3-(3-phenylphenyl)pyrazol-1-yl]methyl]pyridine-4-carboxamide
PubChem CID169043311
Molecular FormulaC22H18N4O
Molecular Weight354.41 g/mol
Exact Mass354.15
IUPAC Name3-[[3-(3-phenylphenyl)pyrazol-1-yl]methyl]pyridine-4-carboxamide
SMILESNC(=O)c1ccncc1Cn1ccc(-c2cccc(-c3ccccc3)c2)n1
InChIInChI=1S/C22H18N4O/c23-22(27)20-9-11-24-14-19(20)15-26-12-10-21(25-26)18-8-4-7-17(13-18)16-5-2-1-3-6-16/h1-14H,15H2,(H2,23,27)
InChIKeyCOYULXOAGHAOPU-UHFFFAOYSA-N
XLogP3.76
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-(3-phenylphenyl)pyrazol-1-yl]methyl]pyridine-4-carboxamide?
The IUPAC name of 3-[[3-(3-phenylphenyl)pyrazol-1-yl]methyl]pyridine-4-carboxamide (CID 169043311) is 3-[[3-(3-phenylphenyl)pyrazol-1-yl]methyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-[[3-(3-phenylphenyl)pyrazol-1-yl]methyl]pyridine-4-carboxamide?
The canonical SMILES for 3-[[3-(3-phenylphenyl)pyrazol-1-yl]methyl]pyridine-4-carboxamide is NC(=O)c1ccncc1Cn1ccc(-c2cccc(-c3ccccc3)c2)n1.
What is the InChIKey of 3-[[3-(3-phenylphenyl)pyrazol-1-yl]methyl]pyridine-4-carboxamide?
The InChIKey is COYULXOAGHAOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O/c23-22(27)20-9-11-24-14-19(20)15-26-12-10-21(25-26)18-8-4-7-17(13-18)16-5-2-1-3-6-16/h1-14H,15H2,(H2,23,27).
What are the key properties of 3-[[3-(3-phenylphenyl)pyrazol-1-yl]methyl]pyridine-4-carboxamide?
3-[[3-(3-phenylphenyl)pyrazol-1-yl]methyl]pyridine-4-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(3-phenylphenyl)pyrazol-1-yl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 169043311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).