N-(2-cyanophenyl)-5-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide

C19H16N4O2 — CID 110336427

IUPACN-(2-cyanophenyl)-5-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)Nc3ccccc3C#N)nn2C)c1
InChIInChI=1S/C19H16N4O2/c1-23-18(13-7-5-8-15(10-13)25-2)11-17(22-23)19(24)21-16-9-4-3-6-14(16)12-20/h3-11H,1-2H3,(H,21,24)
InChIKeyGFHZQEOWTUDDJX-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.22
Rot. Bonds4

About N-(2-cyanophenyl)-5-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide

N-(2-cyanophenyl)-5-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide (PubChem CID 110336427) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is N-(2-cyanophenyl)-5-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-5-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide
PubChem CID110336427
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC NameN-(2-cyanophenyl)-5-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)Nc3ccccc3C#N)nn2C)c1
InChIInChI=1S/C19H16N4O2/c1-23-18(13-7-5-8-15(10-13)25-2)11-17(22-23)19(24)21-16-9-4-3-6-14(16)12-20/h3-11H,1-2H3,(H,21,24)
InChIKeyGFHZQEOWTUDDJX-UHFFFAOYSA-N
XLogP3.22
TPSA79.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[5-(3-methoxyphenyl)-1-methylpyrazole-3-carbonyl]amino]benzoate
CID 110336415
N-(2-methoxy-5-methylphenyl)-5-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 110336407
N-(2-cyanophenyl)-5-(2-methoxy-5-methylphenyl)-1-methylpyrazole-3-carboxamide
CID 90271392
N-(3-acetylphenyl)-5-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 110336411
N-(2-cyanophenyl)-5-(5-fluoro-2-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 110676242
5-(3-methoxyphenyl)-1-methyl-N-propan-2-ylpyrazole-3-carboxamide
CID 46171148
N-[4-(dimethylamino)phenyl]-5-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 110336418
ethyl 4-[[5-(3-methoxyphenyl)-1-methylpyrazole-3-carbonyl]amino]benzoate
CID 110336423
3-N-(2-cyanophenyl)-1-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057632
5-(3-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-1-methylpyrazole-3-carboxamide
CID 110336374
N-(2-cyanophenyl)-2-(3-methoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109337510
N-(2-cyanophenyl)-5-(3-methoxyanilino)pyrazine-2-carboxamide
CID 109293558

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-5-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-(2-cyanophenyl)-5-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide (CID 110336427) is N-(2-cyanophenyl)-5-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(2-cyanophenyl)-5-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(2-cyanophenyl)-5-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide is COc1cccc(-c2cc(C(=O)Nc3ccccc3C#N)nn2C)c1.
What is the InChIKey of N-(2-cyanophenyl)-5-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide?
The InChIKey is GFHZQEOWTUDDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c1-23-18(13-7-5-8-15(10-13)25-2)11-17(22-23)19(24)21-16-9-4-3-6-14(16)12-20/h3-11H,1-2H3,(H,21,24).
What are the key properties of N-(2-cyanophenyl)-5-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide?
N-(2-cyanophenyl)-5-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide has a molecular weight of 332.36 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-5-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 110336427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).