N-[(3-methoxyphenyl)methyl]-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide

C19H19N3O2 — CID 71824643

IUPACN-[(3-methoxyphenyl)methyl]-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide
SMILESCOc1cccc(CNC(=O)c2cn[nH]c2-c2ccc(C)cc2)c1
InChIInChI=1S/C19H19N3O2/c1-13-6-8-15(9-7-13)18-17(12-21-22-18)19(23)20-11-14-4-3-5-16(10-14)24-2/h3-10,12H,11H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyBMDWYTDOGZGMOQ-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.32
Rot. Bonds5

About N-[(3-methoxyphenyl)methyl]-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide

N-[(3-methoxyphenyl)methyl]-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide (PubChem CID 71824643) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide
PubChem CID71824643
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC NameN-[(3-methoxyphenyl)methyl]-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide
SMILESCOc1cccc(CNC(=O)c2cn[nH]c2-c2ccc(C)cc2)c1
InChIInChI=1S/C19H19N3O2/c1-13-6-8-15(9-7-13)18-17(12-21-22-18)19(23)20-11-14-4-3-5-16(10-14)24-2/h3-10,12H,11H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyBMDWYTDOGZGMOQ-UHFFFAOYSA-N
XLogP3.32
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide
CID 71824647
5-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 71824377
5-(3-methoxyphenyl)-N-[(2-methylphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 71824347
N-[(3-butoxyphenyl)methyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 55846230
N-[(4-fluorophenyl)methyl]-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide
CID 71824635
N-benzyl-5-(3-methylphenyl)-1H-pyrazole-4-carboxamide
CID 53490368
3-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-6-(4-methylphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 46364958
methyl 2-methoxy-5-[[(5-phenyl-1H-pyrazole-4-carbonyl)amino]methyl]benzoate
CID 17415360
5-(3-methoxyphenyl)-N-[(1-propylpyrazol-4-yl)methyl]-1H-pyrazole-4-carboxamide
CID 70760642
5-(3-chlorophenyl)-N-[(3-methylphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 71824675
5-(4-methylphenyl)-N-[(2-methylphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 71824609
5-(4-fluorophenyl)-N-(3-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 17487935

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide (CID 71824643) is N-[(3-methoxyphenyl)methyl]-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide is COc1cccc(CNC(=O)c2cn[nH]c2-c2ccc(C)cc2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide?
The InChIKey is BMDWYTDOGZGMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-13-6-8-15(9-7-13)18-17(12-21-22-18)19(23)20-11-14-4-3-5-16(10-14)24-2/h3-10,12H,11H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of N-[(3-methoxyphenyl)methyl]-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide?
N-[(3-methoxyphenyl)methyl]-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 71824643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).