N-[(4-methoxyphenyl)methyl]-5-methyl-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-4-carboxamide

C21H20N6O3 — CID 53179095

IUPACN-[(4-methoxyphenyl)methyl]-5-methyl-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2cnn(-c3ccc(-c4nc(C)no4)cn3)c2C)cc1
InChIInChI=1S/C21H20N6O3/c1-13-18(20(28)23-10-15-4-7-17(29-3)8-5-15)12-24-27(13)19-9-6-16(11-22-19)21-25-14(2)26-30-21/h4-9,11-12H,10H2,1-3H3,(H,23,28)
InChIKeyKFTQAYGOIMXDJK-UHFFFAOYSA-N
MW404.43 g/mol
LogP2.87
Rot. Bonds6

About N-[(4-methoxyphenyl)methyl]-5-methyl-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-4-carboxamide

N-[(4-methoxyphenyl)methyl]-5-methyl-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-4-carboxamide (PubChem CID 53179095) has the molecular formula C21H20N6O3 and a molecular weight of 404.43 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-5-methyl-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-5-methyl-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-4-carboxamide
PubChem CID53179095
Molecular FormulaC21H20N6O3
Molecular Weight404.43 g/mol
Exact Mass404.16
IUPAC NameN-[(4-methoxyphenyl)methyl]-5-methyl-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2cnn(-c3ccc(-c4nc(C)no4)cn3)c2C)cc1
InChIInChI=1S/C21H20N6O3/c1-13-18(20(28)23-10-15-4-7-17(29-3)8-5-15)12-24-27(13)19-9-6-16(11-22-19)21-25-14(2)26-30-21/h4-9,11-12H,10H2,1-3H3,(H,23,28)
InChIKeyKFTQAYGOIMXDJK-UHFFFAOYSA-N
XLogP2.87
TPSA107.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.43
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[(4-methoxyphenyl)methyl]-5-methyl-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-4-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-[(4-chlorophenyl)methyl]-5-methyl-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-4-carboxamide
CID 53179099
N-[2-(4-chlorophenyl)ethyl]-5-methyl-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-4-carboxamide
CID 53179105
N-[(3-methoxyphenyl)methyl]-5-methyl-1-[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-4-carboxamide
CID 53490146
1-[5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(3,4-dimethoxyphenyl)methyl]-5-methylpyrazole-4-carboxamide
CID 53490113
N-benzyl-1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-5-methylpyrazole-4-carboxamide
CID 53179198
N-[(3-ethoxy-4-methoxyphenyl)methyl]-5-methyl-1-[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-4-carboxamide
CID 53490165
5-methyl-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(1S)-1-phenylethyl]pyrazole-4-carboxamide
CID 95104472
N-(2-methoxyethyl)-5-methyl-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-4-carboxamide
CID 53178953
1-[5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(furan-2-ylmethyl)-5-methylpyrazole-4-carboxamide
CID 53179232
1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-5-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 53490139
N-(furan-2-ylmethyl)-5-methyl-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-4-carboxamide
CID 53178948
N-[(4-methoxyphenyl)methyl]-1-[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
CID 53489805

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-5-methyl-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-4-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-5-methyl-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-4-carboxamide (CID 53179095) is N-[(4-methoxyphenyl)methyl]-5-methyl-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-5-methyl-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-4-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-5-methyl-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-4-carboxamide is COc1ccc(CNC(=O)c2cnn(-c3ccc(-c4nc(C)no4)cn3)c2C)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-5-methyl-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-4-carboxamide?
The InChIKey is KFTQAYGOIMXDJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O3/c1-13-18(20(28)23-10-15-4-7-17(29-3)8-5-15)12-24-27(13)19-9-6-16(11-22-19)21-25-14(2)26-30-21/h4-9,11-12H,10H2,1-3H3,(H,23,28).
What are the key properties of N-[(4-methoxyphenyl)methyl]-5-methyl-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-4-carboxamide?
N-[(4-methoxyphenyl)methyl]-5-methyl-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-4-carboxamide has a molecular weight of 404.43 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-5-methyl-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-4-carboxamide is sourced from PubChem (CID 53179095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).