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

C19H19N3O3 — CID 71824377

IUPAC5-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1H-pyrazole-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2cn[nH]c2-c2cccc(OC)c2)cc1
InChIInChI=1S/C19H19N3O3/c1-24-15-8-6-13(7-9-15)11-20-19(23)17-12-21-22-18(17)14-4-3-5-16(10-14)25-2/h3-10,12H,11H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyYFLIMGAGILVOKK-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.02
Rot. Bonds6

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

5-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1H-pyrazole-4-carboxamide (PubChem CID 71824377) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1H-pyrazole-4-carboxamide
PubChem CID71824377
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name5-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1H-pyrazole-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2cn[nH]c2-c2cccc(OC)c2)cc1
InChIInChI=1S/C19H19N3O3/c1-24-15-8-6-13(7-9-15)11-20-19(23)17-12-21-22-18(17)14-4-3-5-16(10-14)25-2/h3-10,12H,11H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyYFLIMGAGILVOKK-UHFFFAOYSA-N
XLogP3.02
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-methoxyphenyl)-N-[(2-methylphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 71824347
N-[(3-methoxyphenyl)methyl]-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide
CID 71824643
5-(3-methoxyphenyl)-N-[(1-propylpyrazol-4-yl)methyl]-1H-pyrazole-4-carboxamide
CID 70760642
5-(3-bromophenyl)-N-[(4-propan-2-yloxyphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 71824478
N-benzyl-5-(3-methylphenyl)-1H-pyrazole-4-carboxamide
CID 53490368
5-(3-methylphenyl)-N-[(4-propan-2-ylphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 71824470
5-(3-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide
CID 71824448
N-[(3-butoxyphenyl)methyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 55846230
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-5-(3-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 70723908
methyl 2-methoxy-5-[[(5-phenyl-1H-pyrazole-4-carbonyl)amino]methyl]benzoate
CID 17415360
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-5-(3-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 70751468
5-(4-ethylphenyl)-N-[(4-ethylphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 71824428

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1H-pyrazole-4-carboxamide (CID 71824377) is 5-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1H-pyrazole-4-carboxamide is COc1ccc(CNC(=O)c2cn[nH]c2-c2cccc(OC)c2)cc1.
What is the InChIKey of 5-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1H-pyrazole-4-carboxamide?
The InChIKey is YFLIMGAGILVOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-24-15-8-6-13(7-9-15)11-20-19(23)17-12-21-22-18(17)14-4-3-5-16(10-14)25-2/h3-10,12H,11H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of 5-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1H-pyrazole-4-carboxamide?
5-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1H-pyrazole-4-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 71824377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).