N-(2-methylphenyl)-1-[(4-methylphenyl)methyl]-5-pyrrol-1-yltriazole-4-carboxamide

C22H21N5O — CID 53101181

IUPACN-(2-methylphenyl)-1-[(4-methylphenyl)methyl]-5-pyrrol-1-yltriazole-4-carboxamide
SMILESCc1ccc(Cn2nnc(C(=O)Nc3ccccc3C)c2-n2cccc2)cc1
InChIInChI=1S/C22H21N5O/c1-16-9-11-18(12-10-16)15-27-22(26-13-5-6-14-26)20(24-25-27)21(28)23-19-8-4-3-7-17(19)2/h3-14H,15H2,1-2H3,(H,23,28)
InChIKeyYSBSSXWWHAMKFO-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.99
Rot. Bonds5

About N-(2-methylphenyl)-1-[(4-methylphenyl)methyl]-5-pyrrol-1-yltriazole-4-carboxamide

N-(2-methylphenyl)-1-[(4-methylphenyl)methyl]-5-pyrrol-1-yltriazole-4-carboxamide (PubChem CID 53101181) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is N-(2-methylphenyl)-1-[(4-methylphenyl)methyl]-5-pyrrol-1-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-1-[(4-methylphenyl)methyl]-5-pyrrol-1-yltriazole-4-carboxamide
PubChem CID53101181
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC NameN-(2-methylphenyl)-1-[(4-methylphenyl)methyl]-5-pyrrol-1-yltriazole-4-carboxamide
SMILESCc1ccc(Cn2nnc(C(=O)Nc3ccccc3C)c2-n2cccc2)cc1
InChIInChI=1S/C22H21N5O/c1-16-9-11-18(12-10-16)15-27-22(26-13-5-6-14-26)20(24-25-27)21(28)23-19-8-4-3-7-17(19)2/h3-14H,15H2,1-2H3,(H,23,28)
InChIKeyYSBSSXWWHAMKFO-UHFFFAOYSA-N
XLogP3.99
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-difluorophenyl)-1-[(4-methylphenyl)methyl]-5-pyrrol-1-yltriazole-4-carboxamide
CID 53101182
N-(2-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-5-pyrrol-1-yltriazole-4-carboxamide
CID 53101195
1-[(4-fluorophenyl)methyl]-N-[(4-methylphenyl)methyl]-5-pyrrol-1-yltriazole-4-carboxamide
CID 50819220
1-[(4-ethylphenyl)methyl]-5-methyl-N-(2-methylphenyl)triazole-4-carboxamide
CID 119046922
1-[(4-chlorophenyl)methyl]-N-(4-fluorophenyl)-5-pyrrol-1-yltriazole-4-carboxamide
CID 53101159
N-(3-fluoro-4-methylphenyl)-1-[(3-methylphenyl)methyl]-5-pyrrol-1-yltriazole-4-carboxamide
CID 50819055
N-butan-2-yl-1-[(4-chlorophenyl)methyl]-5-pyrrol-1-yltriazole-4-carboxamide
CID 53101240
4-(benzotriazol-1-ylmethyl)-N-(2-methylphenyl)benzamide
CID 8872279
1-benzyl-N-[(3-chlorophenyl)methyl]-5-pyrrol-1-yltriazole-4-carboxamide
CID 50819135
1-[(4-chlorophenyl)methyl]-N-[(4-methylsulfanylphenyl)methyl]-5-pyrrol-1-yltriazole-4-carboxamide
CID 53101254
N-[(2-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]-5-pyrrol-1-yltriazole-4-carboxamide
CID 53101311
1-benzyl-N-[(3-bromophenyl)methyl]-5-pyrrol-1-yltriazole-4-carboxamide
CID 50819152

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-1-[(4-methylphenyl)methyl]-5-pyrrol-1-yltriazole-4-carboxamide?
The IUPAC name of N-(2-methylphenyl)-1-[(4-methylphenyl)methyl]-5-pyrrol-1-yltriazole-4-carboxamide (CID 53101181) is N-(2-methylphenyl)-1-[(4-methylphenyl)methyl]-5-pyrrol-1-yltriazole-4-carboxamide.
What is the SMILES notation for N-(2-methylphenyl)-1-[(4-methylphenyl)methyl]-5-pyrrol-1-yltriazole-4-carboxamide?
The canonical SMILES for N-(2-methylphenyl)-1-[(4-methylphenyl)methyl]-5-pyrrol-1-yltriazole-4-carboxamide is Cc1ccc(Cn2nnc(C(=O)Nc3ccccc3C)c2-n2cccc2)cc1.
What is the InChIKey of N-(2-methylphenyl)-1-[(4-methylphenyl)methyl]-5-pyrrol-1-yltriazole-4-carboxamide?
The InChIKey is YSBSSXWWHAMKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O/c1-16-9-11-18(12-10-16)15-27-22(26-13-5-6-14-26)20(24-25-27)21(28)23-19-8-4-3-7-17(19)2/h3-14H,15H2,1-2H3,(H,23,28).
What are the key properties of N-(2-methylphenyl)-1-[(4-methylphenyl)methyl]-5-pyrrol-1-yltriazole-4-carboxamide?
N-(2-methylphenyl)-1-[(4-methylphenyl)methyl]-5-pyrrol-1-yltriazole-4-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-1-[(4-methylphenyl)methyl]-5-pyrrol-1-yltriazole-4-carboxamide is sourced from PubChem (CID 53101181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).