N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-4-phenylbenzamide

C23H20N4O — CID 90555675

IUPACN-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-4-phenylbenzamide
SMILESCn1nc(CNC(=O)c2ccc(-c3ccccc3)cc2)cc1-c1ccccn1
InChIInChI=1S/C23H20N4O/c1-27-22(21-9-5-6-14-24-21)15-20(26-27)16-25-23(28)19-12-10-18(11-13-19)17-7-3-2-4-8-17/h2-15H,16H2,1H3,(H,25,28)
InChIKeyMRHYEMBYLXWWJY-UHFFFAOYSA-N
MW368.44 g/mol
LogP4.08
Rot. Bonds5

About N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-4-phenylbenzamide

N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-4-phenylbenzamide (PubChem CID 90555675) has the molecular formula C23H20N4O and a molecular weight of 368.44 g/mol. Its IUPAC name is N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-4-phenylbenzamide
PubChem CID90555675
Molecular FormulaC23H20N4O
Molecular Weight368.44 g/mol
Exact Mass368.16
IUPAC NameN-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-4-phenylbenzamide
SMILESCn1nc(CNC(=O)c2ccc(-c3ccccc3)cc2)cc1-c1ccccn1
InChIInChI=1S/C23H20N4O/c1-27-22(21-9-5-6-14-24-21)15-20(26-27)16-25-23(28)19-12-10-18(11-13-19)17-7-3-2-4-8-17/h2-15H,16H2,1H3,(H,25,28)
InChIKeyMRHYEMBYLXWWJY-UHFFFAOYSA-N
XLogP4.08
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-3-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]urea
CID 90555827
1-ethyl-3-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]urea
CID 90555819
4-methyl-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]thiophene-2-carboxamide
CID 90555587
2-benzylsulfanyl-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]acetamide
CID 71797633
1-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-3-(2-phenoxyethyl)urea
CID 90555843
N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-4-methylbenzamide
CID 90555890
N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-(4-phenylphenyl)acetamide
CID 90555066
2-(2,4-dichlorophenoxy)-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]acetamide
CID 71797643
4-bromo-N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]benzamide
CID 90556015
3-(4-methoxyphenyl)-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]propanamide
CID 90555638
3-phenyl-N-(pyridin-2-ylmethyl)benzamide
CID 110724423
N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]pyridine-3-carboxamide
CID 90554952

Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-4-phenylbenzamide?
The IUPAC name of N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-4-phenylbenzamide (CID 90555675) is N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-4-phenylbenzamide.
What is the SMILES notation for N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-4-phenylbenzamide?
The canonical SMILES for N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-4-phenylbenzamide is Cn1nc(CNC(=O)c2ccc(-c3ccccc3)cc2)cc1-c1ccccn1.
What is the InChIKey of N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-4-phenylbenzamide?
The InChIKey is MRHYEMBYLXWWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O/c1-27-22(21-9-5-6-14-24-21)15-20(26-27)16-25-23(28)19-12-10-18(11-13-19)17-7-3-2-4-8-17/h2-15H,16H2,1H3,(H,25,28).
What are the key properties of N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-4-phenylbenzamide?
N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-4-phenylbenzamide has a molecular weight of 368.44 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-4-phenylbenzamide is sourced from PubChem (CID 90555675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).