N-[(4-methoxyphenyl)methyl]-1-phenyl-5-pyridin-4-ylpyrazole-3-carboxamide

C23H20N4O2 — CID 53002283

IUPACN-[(4-methoxyphenyl)methyl]-1-phenyl-5-pyridin-4-ylpyrazole-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(-c3ccncc3)n(-c3ccccc3)n2)cc1
InChIInChI=1S/C23H20N4O2/c1-29-20-9-7-17(8-10-20)16-25-23(28)21-15-22(18-11-13-24-14-12-18)27(26-21)19-5-3-2-4-6-19/h2-15H,16H2,1H3,(H,25,28)
InChIKeyLPKIQSUCMJVOAJ-UHFFFAOYSA-N
MW384.44 g/mol
LogP3.87
Rot. Bonds6

About N-[(4-methoxyphenyl)methyl]-1-phenyl-5-pyridin-4-ylpyrazole-3-carboxamide

N-[(4-methoxyphenyl)methyl]-1-phenyl-5-pyridin-4-ylpyrazole-3-carboxamide (PubChem CID 53002283) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-1-phenyl-5-pyridin-4-ylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-1-phenyl-5-pyridin-4-ylpyrazole-3-carboxamide
PubChem CID53002283
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC NameN-[(4-methoxyphenyl)methyl]-1-phenyl-5-pyridin-4-ylpyrazole-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(-c3ccncc3)n(-c3ccccc3)n2)cc1
InChIInChI=1S/C23H20N4O2/c1-29-20-9-7-17(8-10-20)16-25-23(28)21-15-22(18-11-13-24-14-12-18)27(26-21)19-5-3-2-4-6-19/h2-15H,16H2,1H3,(H,25,28)
InChIKeyLPKIQSUCMJVOAJ-UHFFFAOYSA-N
XLogP3.87
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-hydroxy-3-methoxyphenyl)methyl]-5-(4-methoxyphenyl)-1-phenylpyrazole-3-carboxamide
CID 60509217
N-(2-hydroxyethyl)-5-(4-methoxyphenyl)-1-phenylpyrazole-3-carboxamide
CID 78888374
1-phenyl-5-pyridin-4-yl-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide
CID 53006265
5-(4-methoxyphenyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1-phenylpyrazole-3-carboxamide
CID 155947371
N-benzyl-1-(4-methoxyphenyl)-5-methylpyrazole-3-carboxamide
CID 110373063
5-(4-methoxyphenyl)-1-phenyl-N-(2-pyridin-2-ylethyl)pyrazole-3-carboxamide
CID 55775417
N-(2-hydroxyphenyl)-5-(4-methoxyphenyl)-1-phenylpyrazole-3-carboxamide
CID 52650371
2-N-[(4-methoxyphenyl)methyl]-6-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide
CID 109098007
N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-5-(4-methoxyphenyl)-1-phenylpyrazole-3-carboxamide
CID 56559254
N'-(2-chlorobenzoyl)-5-(4-methoxyphenyl)-1-phenylpyrazole-3-carbohydrazide
CID 55765038
N-[(4-methoxyphenyl)methyl]-2-phenyltriazole-4-carboxamide
CID 9400525
5-(4-methoxyphenyl)-N-methyl-1-phenyl-N-propan-2-ylpyrazole-3-carboxamide
CID 166208629

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-1-phenyl-5-pyridin-4-ylpyrazole-3-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-1-phenyl-5-pyridin-4-ylpyrazole-3-carboxamide (CID 53002283) is N-[(4-methoxyphenyl)methyl]-1-phenyl-5-pyridin-4-ylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-1-phenyl-5-pyridin-4-ylpyrazole-3-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-1-phenyl-5-pyridin-4-ylpyrazole-3-carboxamide is COc1ccc(CNC(=O)c2cc(-c3ccncc3)n(-c3ccccc3)n2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-1-phenyl-5-pyridin-4-ylpyrazole-3-carboxamide?
The InChIKey is LPKIQSUCMJVOAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2/c1-29-20-9-7-17(8-10-20)16-25-23(28)21-15-22(18-11-13-24-14-12-18)27(26-21)19-5-3-2-4-6-19/h2-15H,16H2,1H3,(H,25,28).
What are the key properties of N-[(4-methoxyphenyl)methyl]-1-phenyl-5-pyridin-4-ylpyrazole-3-carboxamide?
N-[(4-methoxyphenyl)methyl]-1-phenyl-5-pyridin-4-ylpyrazole-3-carboxamide has a molecular weight of 384.44 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-1-phenyl-5-pyridin-4-ylpyrazole-3-carboxamide is sourced from PubChem (CID 53002283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).