N-[2-(3-fluorophenyl)cyclopropyl]-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide

C20H19FN4O2 — CID 71884217

IUPACN-[2-(3-fluorophenyl)cyclopropyl]-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide
SMILESCOc1cccc(-n2nnc(C(=O)NC3CC3c3cccc(F)c3)c2C)c1
InChIInChI=1S/C20H19FN4O2/c1-12-19(23-24-25(12)15-7-4-8-16(10-15)27-2)20(26)22-18-11-17(18)13-5-3-6-14(21)9-13/h3-10,17-18H,11H2,1-2H3,(H,22,26)
InChIKeyRLPDZJFZPUDZLW-UHFFFAOYSA-N
MW366.40 g/mol
LogP3.01
Rot. Bonds5

About N-[2-(3-fluorophenyl)cyclopropyl]-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide

N-[2-(3-fluorophenyl)cyclopropyl]-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide (PubChem CID 71884217) has the molecular formula C20H19FN4O2 and a molecular weight of 366.40 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)cyclopropyl]-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)cyclopropyl]-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide
PubChem CID71884217
Molecular FormulaC20H19FN4O2
Molecular Weight366.40 g/mol
Exact Mass366.15
IUPAC NameN-[2-(3-fluorophenyl)cyclopropyl]-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide
SMILESCOc1cccc(-n2nnc(C(=O)NC3CC3c3cccc(F)c3)c2C)c1
InChIInChI=1S/C20H19FN4O2/c1-12-19(23-24-25(12)15-7-4-8-16(10-15)27-2)20(26)22-18-11-17(18)13-5-3-6-14(21)9-13/h3-10,17-18H,11H2,1-2H3,(H,22,26)
InChIKeyRLPDZJFZPUDZLW-UHFFFAOYSA-N
XLogP3.01
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-(3-fluorophenyl)-5-methyltriazole-4-carboxylate
CID 94068963
N-(4-ethylphenyl)-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 16648407
1-(3-methoxyphenyl)-5-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]triazole-4-carboxamide
CID 35265921
N'-(3,4-dimethoxybenzoyl)-1-(3-methoxyphenyl)-5-methyltriazole-4-carbohydrazide
CID 55648326
1-(3-methoxyphenyl)-5-methyl-N-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 16648432
1-(3-methoxyphenyl)-5-methyl-N-(3-phenoxyphenyl)triazole-4-carboxamide
CID 55667186
1-[4-[1-(3-methoxyphenyl)-5-methyltriazole-4-carbonyl]piperazin-1-yl]ethanone
CID 39888524
N-(4-cyclopentylsulfonylphenyl)-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 55669945
1-(3-methoxyphenyl)-5-methyl-N-[(2-phenylmethoxyphenyl)methyl]triazole-4-carboxamide
CID 55806463
diethyl 5-[[1-(3-methoxyphenyl)-5-methyltriazole-4-carbonyl]amino]benzene-1,3-dicarboxylate
CID 55666296
ethyl 4-[[1-(3-methoxyphenyl)-5-methyltriazole-4-carbonyl]amino]benzoate
CID 16649100
1-(3-methoxyphenyl)-5-methyl-N-(3-morpholin-4-ylphenyl)triazole-4-carboxamide
CID 55952566

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)cyclopropyl]-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide?
The IUPAC name of N-[2-(3-fluorophenyl)cyclopropyl]-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide (CID 71884217) is N-[2-(3-fluorophenyl)cyclopropyl]-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide.
What is the SMILES notation for N-[2-(3-fluorophenyl)cyclopropyl]-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide?
The canonical SMILES for N-[2-(3-fluorophenyl)cyclopropyl]-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide is COc1cccc(-n2nnc(C(=O)NC3CC3c3cccc(F)c3)c2C)c1.
What is the InChIKey of N-[2-(3-fluorophenyl)cyclopropyl]-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide?
The InChIKey is RLPDZJFZPUDZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O2/c1-12-19(23-24-25(12)15-7-4-8-16(10-15)27-2)20(26)22-18-11-17(18)13-5-3-6-14(21)9-13/h3-10,17-18H,11H2,1-2H3,(H,22,26).
What are the key properties of N-[2-(3-fluorophenyl)cyclopropyl]-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide?
N-[2-(3-fluorophenyl)cyclopropyl]-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide has a molecular weight of 366.40 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)cyclopropyl]-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide is sourced from PubChem (CID 71884217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).