N-[(4-fluorophenyl)methyl]-3-(2-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide

C20H19FN4O2 — CID 134790953

IUPACN-[(4-fluorophenyl)methyl]-3-(2-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide
SMILESCOc1ccccc1-c1nnc2n1C(C(=O)NCc1ccc(F)cc1)CC2
InChIInChI=1S/C20H19FN4O2/c1-27-17-5-3-2-4-15(17)19-24-23-18-11-10-16(25(18)19)20(26)22-12-13-6-8-14(21)9-7-13/h2-9,16H,10-12H2,1H3,(H,22,26)
InChIKeyILBJDUVWVUFGMV-UHFFFAOYSA-N
MW366.40 g/mol
LogP2.90
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-3-(2-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide

N-[(4-fluorophenyl)methyl]-3-(2-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide (PubChem CID 134790953) has the molecular formula C20H19FN4O2 and a molecular weight of 366.40 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-(2-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-(2-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide
PubChem CID134790953
Molecular FormulaC20H19FN4O2
Molecular Weight366.40 g/mol
Exact Mass366.15
IUPAC NameN-[(4-fluorophenyl)methyl]-3-(2-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide
SMILESCOc1ccccc1-c1nnc2n1C(C(=O)NCc1ccc(F)cc1)CC2
InChIInChI=1S/C20H19FN4O2/c1-27-17-5-3-2-4-15(17)19-24-23-18-11-10-16(25(18)19)20(26)22-12-13-6-8-14(21)9-7-13/h2-9,16H,10-12H2,1H3,(H,22,26)
InChIKeyILBJDUVWVUFGMV-UHFFFAOYSA-N
XLogP2.90
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 ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-fluorophenyl)methyl]-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30363214
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CID 40638425
N-benzyl-1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]piperidine-2-carboxamide
CID 134801433
N-[(6R)-3-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2-(2-methoxyphenyl)acetamide
CID 97346535
1-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110373885
N-[(4-fluorophenyl)methyl]-3-(2-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 46105412
N-[(4-fluorophenyl)methyl]-3-(2-methoxyphenoxy)propanamide
CID 4789934
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CID 126468587
N-[[4-(2-methoxyphenyl)phenyl]methyl]propanamide
CID 66848573
[(2R,6R)-12-(2-methoxyphenyl)-1,4,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-dien-4-yl]-pyridin-2-ylmethanone
CID 92602512
1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-(2-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-(2-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide (CID 134790953) is N-[(4-fluorophenyl)methyl]-3-(2-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-(2-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-(2-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide is COc1ccccc1-c1nnc2n1C(C(=O)NCc1ccc(F)cc1)CC2.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-(2-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide?
The InChIKey is ILBJDUVWVUFGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O2/c1-27-17-5-3-2-4-15(17)19-24-23-18-11-10-16(25(18)19)20(26)22-12-13-6-8-14(21)9-7-13/h2-9,16H,10-12H2,1H3,(H,22,26).
What are the key properties of N-[(4-fluorophenyl)methyl]-3-(2-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide?
N-[(4-fluorophenyl)methyl]-3-(2-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide has a molecular weight of 366.40 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-(2-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide is sourced from PubChem (CID 134790953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).