[1-[2-(3-fluorophenyl)-5-[(2-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]cyclopropyl]methanol

C20H20FN3O2 — CID 131940197

IUPAC[1-[2-(3-fluorophenyl)-5-[(2-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]cyclopropyl]methanol
SMILESCOc1ccccc1Cc1nc(C2(CO)CC2)n(-c2cccc(F)c2)n1
InChIInChI=1S/C20H20FN3O2/c1-26-17-8-3-2-5-14(17)11-18-22-19(20(13-25)9-10-20)24(23-18)16-7-4-6-15(21)12-16/h2-8,12,25H,9-11,13H2,1H3
InChIKeyOCMRFLSAXKZJHX-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.03
Rot. Bonds6

About [1-[2-(3-fluorophenyl)-5-[(2-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]cyclopropyl]methanol

[1-[2-(3-fluorophenyl)-5-[(2-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]cyclopropyl]methanol (PubChem CID 131940197) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is [1-[2-(3-fluorophenyl)-5-[(2-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[2-(3-fluorophenyl)-5-[(2-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]cyclopropyl]methanol
PubChem CID131940197
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC Name[1-[2-(3-fluorophenyl)-5-[(2-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]cyclopropyl]methanol
SMILESCOc1ccccc1Cc1nc(C2(CO)CC2)n(-c2cccc(F)c2)n1
InChIInChI=1S/C20H20FN3O2/c1-26-17-8-3-2-5-14(17)11-18-22-19(20(13-25)9-10-20)24(23-18)16-7-4-6-15(21)12-16/h2-8,12,25H,9-11,13H2,1H3
InChIKeyOCMRFLSAXKZJHX-UHFFFAOYSA-N
XLogP3.03
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(5-fluoro-2-methoxyphenyl)-1-methylpiperidin-4-yl]methanol
CID 82088194
(1R,2R,4S)-2-amino-4-[2-(2-fluorophenyl)-5-[(2-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]cyclopentan-1-ol;hydrochloride
CID 155938399
[1-(3-fluorophenyl)-5-methoxy-3-methylpyrazol-4-yl]methanamine
CID 117123859
[2-[(2-methoxyphenyl)methyl]-4,6-dimethylpyrimidin-5-yl]methanol
CID 115070027
1-(3-fluorophenyl)-5-(2-methoxyphenyl)triazole-4-carboxylic acid
CID 94940465
2-[1-(3-fluorophenyl)-5-methoxypyrazol-4-yl]acetic acid
CID 115069042
1-fluoro-3-propylbenzene;1-methoxy-2-propylbenzene
CID 142218123
2-[5-[(2-methoxyphenyl)methyl]-2-methyl-1,2,4-triazol-3-yl]ethanamine
CID 96662808
5-(3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 50756630
[1-(2-methoxyphenyl)cyclopentyl]methanol
CID 83687614
[2-[(2-methoxyphenyl)methyl]pyrimidin-5-yl]methanol
CID 62757708
1-[(5-fluoro-2-methoxyphenyl)methyl]-N-methylcyclopropan-1-amine
CID 83688380

Frequently Asked Questions

What is the IUPAC name of [1-[2-(3-fluorophenyl)-5-[(2-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]cyclopropyl]methanol?
The IUPAC name of [1-[2-(3-fluorophenyl)-5-[(2-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]cyclopropyl]methanol (CID 131940197) is [1-[2-(3-fluorophenyl)-5-[(2-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]cyclopropyl]methanol.
What is the SMILES notation for [1-[2-(3-fluorophenyl)-5-[(2-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]cyclopropyl]methanol?
The canonical SMILES for [1-[2-(3-fluorophenyl)-5-[(2-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]cyclopropyl]methanol is COc1ccccc1Cc1nc(C2(CO)CC2)n(-c2cccc(F)c2)n1.
What is the InChIKey of [1-[2-(3-fluorophenyl)-5-[(2-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]cyclopropyl]methanol?
The InChIKey is OCMRFLSAXKZJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2/c1-26-17-8-3-2-5-14(17)11-18-22-19(20(13-25)9-10-20)24(23-18)16-7-4-6-15(21)12-16/h2-8,12,25H,9-11,13H2,1H3.
What are the key properties of [1-[2-(3-fluorophenyl)-5-[(2-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]cyclopropyl]methanol?
[1-[2-(3-fluorophenyl)-5-[(2-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]cyclopropyl]methanol has a molecular weight of 353.40 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(3-fluorophenyl)-5-[(2-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]cyclopropyl]methanol is sourced from PubChem (CID 131940197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).