N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)-4-phenoxybenzamide

C22H18N4O2 — CID 112772631

IUPACN-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)-4-phenoxybenzamide
SMILESCc1cc(NC(=O)c2ccc(Oc3ccccc3)cc2)n(-c2ccccn2)n1
InChIInChI=1S/C22H18N4O2/c1-16-15-21(26(25-16)20-9-5-6-14-23-20)24-22(27)17-10-12-19(13-11-17)28-18-7-3-2-4-8-18/h2-15H,1H3,(H,24,27)
InChIKeyHOWHSRKUDNQCGU-UHFFFAOYSA-N
MW370.41 g/mol
LogP4.62
Rot. Bonds5

About N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)-4-phenoxybenzamide

N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)-4-phenoxybenzamide (PubChem CID 112772631) has the molecular formula C22H18N4O2 and a molecular weight of 370.41 g/mol. Its IUPAC name is N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)-4-phenoxybenzamide.

Molecular Properties

Compound NameN-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)-4-phenoxybenzamide
PubChem CID112772631
Molecular FormulaC22H18N4O2
Molecular Weight370.41 g/mol
Exact Mass370.14
IUPAC NameN-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)-4-phenoxybenzamide
SMILESCc1cc(NC(=O)c2ccc(Oc3ccccc3)cc2)n(-c2ccccn2)n1
InChIInChI=1S/C22H18N4O2/c1-16-15-21(26(25-16)20-9-5-6-14-23-20)24-22(27)17-10-12-19(13-11-17)28-18-7-3-2-4-8-18/h2-15H,1H3,(H,24,27)
InChIKeyHOWHSRKUDNQCGU-UHFFFAOYSA-N
XLogP4.62
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-4-phenoxybenzamide
CID 3372740
5-bromo-N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)pyridine-3-carboxamide
CID 2999617
(2R)-2-methoxy-N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)-2-phenylacetamide
CID 124616132
N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)cyclopropanecarboxamide
CID 3966984
N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-phenoxybenzamide
CID 122305588
N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)-2-phenylquinoline-4-carboxamide
CID 112772630
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 56531464
3,4-dichloro-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 11791835
3,5-dimethoxy-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 2359886
4-methoxy-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]benzamide
CID 2352142
N-(2-chloro-3-pyridinyl)-4-phenoxybenzamide
CID 837045
N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]-4-(phenoxymethyl)benzamide
CID 55508215

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)-4-phenoxybenzamide?
The IUPAC name of N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)-4-phenoxybenzamide (CID 112772631) is N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)-4-phenoxybenzamide.
What is the SMILES notation for N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)-4-phenoxybenzamide?
The canonical SMILES for N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)-4-phenoxybenzamide is Cc1cc(NC(=O)c2ccc(Oc3ccccc3)cc2)n(-c2ccccn2)n1.
What is the InChIKey of N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)-4-phenoxybenzamide?
The InChIKey is HOWHSRKUDNQCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2/c1-16-15-21(26(25-16)20-9-5-6-14-23-20)24-22(27)17-10-12-19(13-11-17)28-18-7-3-2-4-8-18/h2-15H,1H3,(H,24,27).
What are the key properties of N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)-4-phenoxybenzamide?
N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)-4-phenoxybenzamide has a molecular weight of 370.41 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)-4-phenoxybenzamide is sourced from PubChem (CID 112772631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).