N-(2-cyanophenyl)-5-(2-methoxy-5-methylphenyl)-1-methylpyrazole-3-carboxamide

C20H18N4O2 — CID 90271392

IUPACN-(2-cyanophenyl)-5-(2-methoxy-5-methylphenyl)-1-methylpyrazole-3-carboxamide
SMILESCOc1ccc(C)cc1-c1cc(C(=O)Nc2ccccc2C#N)nn1C
InChIInChI=1S/C20H18N4O2/c1-13-8-9-19(26-3)15(10-13)18-11-17(23-24(18)2)20(25)22-16-7-5-4-6-14(16)12-21/h4-11H,1-3H3,(H,22,25)
InChIKeyBLRQUQMPLIECIK-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.53
Rot. Bonds4

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

N-(2-cyanophenyl)-5-(2-methoxy-5-methylphenyl)-1-methylpyrazole-3-carboxamide (PubChem CID 90271392) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is N-(2-cyanophenyl)-5-(2-methoxy-5-methylphenyl)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-5-(2-methoxy-5-methylphenyl)-1-methylpyrazole-3-carboxamide
PubChem CID90271392
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC NameN-(2-cyanophenyl)-5-(2-methoxy-5-methylphenyl)-1-methylpyrazole-3-carboxamide
SMILESCOc1ccc(C)cc1-c1cc(C(=O)Nc2ccccc2C#N)nn1C
InChIInChI=1S/C20H18N4O2/c1-13-8-9-19(26-3)15(10-13)18-11-17(23-24(18)2)20(25)22-16-7-5-4-6-14(16)12-21/h4-11H,1-3H3,(H,22,25)
InChIKeyBLRQUQMPLIECIK-UHFFFAOYSA-N
XLogP3.53
TPSA79.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-cyanophenyl)-5-(2-methoxy-5-methylphenyl)-1-methylpyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-cyanophenyl)-5-(5-fluoro-2-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 110676242
N-(2,4-dimethoxyphenyl)-5-(2-methoxy-5-methylphenyl)-1-methylpyrazole-3-carboxamide
CID 110336792
N-(2-cyanophenyl)-5-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 110336427
5-(2-methoxy-5-methylphenyl)-N-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 110336789
5-(2-methoxy-5-methylphenyl)-1-methyl-N-propylpyrazole-3-carboxamide
CID 110336742
5-(2-methoxy-5-methylphenyl)-1-methyl-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 110336747
N-(2-cyanophenyl)-6-(2-methoxy-5-methylanilino)pyridazine-3-carboxamide
CID 109129563
5-(2-methoxy-5-methylphenyl)-1-methyl-N-prop-2-enylpyrazole-3-carboxamide
CID 110336745
4-(2-cyanoanilino)-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide
CID 109221872
N-(2-methoxy-5-methylphenyl)-5-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 110336407
N-(2-cyanophenyl)-5-(2-methoxy-5-methylanilino)pyridine-3-carboxamide
CID 109245547
5-(2,5-dimethoxyphenyl)-N-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 110674174

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-5-(2-methoxy-5-methylphenyl)-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-(2-cyanophenyl)-5-(2-methoxy-5-methylphenyl)-1-methylpyrazole-3-carboxamide (CID 90271392) is N-(2-cyanophenyl)-5-(2-methoxy-5-methylphenyl)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(2-cyanophenyl)-5-(2-methoxy-5-methylphenyl)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(2-cyanophenyl)-5-(2-methoxy-5-methylphenyl)-1-methylpyrazole-3-carboxamide is COc1ccc(C)cc1-c1cc(C(=O)Nc2ccccc2C#N)nn1C.
What is the InChIKey of N-(2-cyanophenyl)-5-(2-methoxy-5-methylphenyl)-1-methylpyrazole-3-carboxamide?
The InChIKey is BLRQUQMPLIECIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-13-8-9-19(26-3)15(10-13)18-11-17(23-24(18)2)20(25)22-16-7-5-4-6-14(16)12-21/h4-11H,1-3H3,(H,22,25).
What are the key properties of N-(2-cyanophenyl)-5-(2-methoxy-5-methylphenyl)-1-methylpyrazole-3-carboxamide?
N-(2-cyanophenyl)-5-(2-methoxy-5-methylphenyl)-1-methylpyrazole-3-carboxamide has a molecular weight of 346.39 g/mol, XLogP of 3.53, 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-(2-methoxy-5-methylphenyl)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 90271392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).