N-benzyl-1-[(4-chlorophenyl)methyl]-N-(cyclopropylmethyl)triazole-4-carboxamide

C21H21ClN4O — CID 26406270

IUPACN-benzyl-1-[(4-chlorophenyl)methyl]-N-(cyclopropylmethyl)triazole-4-carboxamide
SMILESO=C(c1cn(Cc2ccc(Cl)cc2)nn1)N(Cc1ccccc1)CC1CC1
InChIInChI=1S/C21H21ClN4O/c22-19-10-8-18(9-11-19)14-26-15-20(23-24-26)21(27)25(13-17-6-7-17)12-16-4-2-1-3-5-16/h1-5,8-11,15,17H,6-7,12-14H2
InChIKeyGPQQVNFVDRNBGL-UHFFFAOYSA-N
MW380.88 g/mol
LogP4.03
Rot. Bonds7

About N-benzyl-1-[(4-chlorophenyl)methyl]-N-(cyclopropylmethyl)triazole-4-carboxamide

N-benzyl-1-[(4-chlorophenyl)methyl]-N-(cyclopropylmethyl)triazole-4-carboxamide (PubChem CID 26406270) has the molecular formula C21H21ClN4O and a molecular weight of 380.88 g/mol. Its IUPAC name is N-benzyl-1-[(4-chlorophenyl)methyl]-N-(cyclopropylmethyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-[(4-chlorophenyl)methyl]-N-(cyclopropylmethyl)triazole-4-carboxamide
PubChem CID26406270
Molecular FormulaC21H21ClN4O
Molecular Weight380.88 g/mol
Exact Mass380.14
IUPAC NameN-benzyl-1-[(4-chlorophenyl)methyl]-N-(cyclopropylmethyl)triazole-4-carboxamide
SMILESO=C(c1cn(Cc2ccc(Cl)cc2)nn1)N(Cc1ccccc1)CC1CC1
InChIInChI=1S/C21H21ClN4O/c22-19-10-8-18(9-11-19)14-26-15-20(23-24-26)21(27)25(13-17-6-7-17)12-16-4-2-1-3-5-16/h1-5,8-11,15,17H,6-7,12-14H2
InChIKeyGPQQVNFVDRNBGL-UHFFFAOYSA-N
XLogP4.03
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.88
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-(2-hydroxyethyl)-1-[(4-methoxyphenyl)methyl]triazole-4-carboxamide
CID 25368105
1-benzyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)triazole-4-carboxamide
CID 134046136
1-benzyl-N-[2-(dimethylamino)ethyl]-N-(pyridin-3-ylmethyl)triazole-4-carboxamide
CID 86824246
1-[(4-chlorophenyl)methyl]triazole-4-carboxamide
CID 154805457
1-benzyltriazole-4-carbonyl chloride
CID 87720228
1-benzyl-N-[(3,4-dichlorophenyl)methyl]-N-methyltriazole-4-carboxamide
CID 18152841
benzyl(cyclopropylmethyl)carbamic acid
CID 68617171
1-benzyl-N-methyl-N-(2-methylcyclohexyl)triazole-4-carboxamide
CID 134020397
(1-benzyltriazol-4-yl)-cyclohexylmethanone
CID 71763813
N,1-dibenzyl-N-(4-methoxyphenyl)triazole-4-carboxamide
CID 55512888
(1-benzyltriazol-4-yl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 119623754
(1-benzyltriazol-4-yl)-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
CID 71931378

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[(4-chlorophenyl)methyl]-N-(cyclopropylmethyl)triazole-4-carboxamide?
The IUPAC name of N-benzyl-1-[(4-chlorophenyl)methyl]-N-(cyclopropylmethyl)triazole-4-carboxamide (CID 26406270) is N-benzyl-1-[(4-chlorophenyl)methyl]-N-(cyclopropylmethyl)triazole-4-carboxamide.
What is the SMILES notation for N-benzyl-1-[(4-chlorophenyl)methyl]-N-(cyclopropylmethyl)triazole-4-carboxamide?
The canonical SMILES for N-benzyl-1-[(4-chlorophenyl)methyl]-N-(cyclopropylmethyl)triazole-4-carboxamide is O=C(c1cn(Cc2ccc(Cl)cc2)nn1)N(Cc1ccccc1)CC1CC1.
What is the InChIKey of N-benzyl-1-[(4-chlorophenyl)methyl]-N-(cyclopropylmethyl)triazole-4-carboxamide?
The InChIKey is GPQQVNFVDRNBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O/c22-19-10-8-18(9-11-19)14-26-15-20(23-24-26)21(27)25(13-17-6-7-17)12-16-4-2-1-3-5-16/h1-5,8-11,15,17H,6-7,12-14H2.
What are the key properties of N-benzyl-1-[(4-chlorophenyl)methyl]-N-(cyclopropylmethyl)triazole-4-carboxamide?
N-benzyl-1-[(4-chlorophenyl)methyl]-N-(cyclopropylmethyl)triazole-4-carboxamide has a molecular weight of 380.88 g/mol, XLogP of 4.03, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[(4-chlorophenyl)methyl]-N-(cyclopropylmethyl)triazole-4-carboxamide is sourced from PubChem (CID 26406270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).