5-[3-[(1-methyl-5-phenylpyrazol-3-yl)methoxy]phenyl]-2H-triazol-4-amine

C19H18N6O — CID 170147966

IUPAC5-[3-[(1-methyl-5-phenylpyrazol-3-yl)methoxy]phenyl]-2H-triazol-4-amine
SMILESCn1nc(COc2cccc(-c3n[nH]nc3N)c2)cc1-c1ccccc1
InChIInChI=1S/C19H18N6O/c1-25-17(13-6-3-2-4-7-13)11-15(23-25)12-26-16-9-5-8-14(10-16)18-19(20)22-24-21-18/h2-11H,12H2,1H3,(H3,20,21,22,24)
InChIKeyCFBNYFKQISPLAB-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.03
Rot. Bonds5

About 5-[3-[(1-methyl-5-phenylpyrazol-3-yl)methoxy]phenyl]-2H-triazol-4-amine

5-[3-[(1-methyl-5-phenylpyrazol-3-yl)methoxy]phenyl]-2H-triazol-4-amine (PubChem CID 170147966) has the molecular formula C19H18N6O and a molecular weight of 346.39 g/mol. Its IUPAC name is 5-[3-[(1-methyl-5-phenylpyrazol-3-yl)methoxy]phenyl]-2H-triazol-4-amine.

Molecular Properties

Compound Name5-[3-[(1-methyl-5-phenylpyrazol-3-yl)methoxy]phenyl]-2H-triazol-4-amine
PubChem CID170147966
Molecular FormulaC19H18N6O
Molecular Weight346.39 g/mol
Exact Mass346.15
IUPAC Name5-[3-[(1-methyl-5-phenylpyrazol-3-yl)methoxy]phenyl]-2H-triazol-4-amine
SMILESCn1nc(COc2cccc(-c3n[nH]nc3N)c2)cc1-c1ccccc1
InChIInChI=1S/C19H18N6O/c1-25-17(13-6-3-2-4-7-13)11-15(23-25)12-26-16-9-5-8-14(10-16)18-19(20)22-24-21-18/h2-11H,12H2,1H3,(H3,20,21,22,24)
InChIKeyCFBNYFKQISPLAB-UHFFFAOYSA-N
XLogP3.03
TPSA94.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[3-(1,3-thiazol-4-ylmethoxy)phenyl]-2H-triazol-4-amine
CID 170148065
5-[3-[(1,5-dimethylpyrazol-3-yl)methoxy]phenyl]-2H-triazole-4-carbonitrile
CID 122479642
5-[3-[(1-methylindol-7-yl)methoxy]phenyl]-2H-triazol-4-amine
CID 170148010
5-[3-(1,3-oxazol-5-ylmethoxy)phenyl]-2H-triazol-4-amine
CID 170148069
[5-(3-methoxyphenyl)-1-methylpyrazol-3-yl]methanethiol
CID 82159157
5-[3-[(4-methylcyclohexyl)methoxy]phenyl]-2H-triazol-4-amine
CID 170147983
5-[3-(1-benzothiophen-7-ylmethoxy)phenyl]-2H-triazol-4-amine
CID 170148037
3-[(3-chlorophenoxy)methyl]-1-methylpyrazol-5-amine
CID 82083972
3-[(3-ethylphenoxy)methyl]-1-methylpyrazol-5-amine
CID 82082157
3-(1-methyl-5-phenylpyrazol-3-yl)propan-1-amine
CID 105469039
3-(chloromethyl)-5-(3-methoxyphenyl)-1-methylpyrazole
CID 82129617
1-methyl-5-nitro-3-(3-phenylmethoxyphenyl)indazol-6-amine
CID 175887009

Frequently Asked Questions

What is the IUPAC name of 5-[3-[(1-methyl-5-phenylpyrazol-3-yl)methoxy]phenyl]-2H-triazol-4-amine?
The IUPAC name of 5-[3-[(1-methyl-5-phenylpyrazol-3-yl)methoxy]phenyl]-2H-triazol-4-amine (CID 170147966) is 5-[3-[(1-methyl-5-phenylpyrazol-3-yl)methoxy]phenyl]-2H-triazol-4-amine.
What is the SMILES notation for 5-[3-[(1-methyl-5-phenylpyrazol-3-yl)methoxy]phenyl]-2H-triazol-4-amine?
The canonical SMILES for 5-[3-[(1-methyl-5-phenylpyrazol-3-yl)methoxy]phenyl]-2H-triazol-4-amine is Cn1nc(COc2cccc(-c3n[nH]nc3N)c2)cc1-c1ccccc1.
What is the InChIKey of 5-[3-[(1-methyl-5-phenylpyrazol-3-yl)methoxy]phenyl]-2H-triazol-4-amine?
The InChIKey is CFBNYFKQISPLAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O/c1-25-17(13-6-3-2-4-7-13)11-15(23-25)12-26-16-9-5-8-14(10-16)18-19(20)22-24-21-18/h2-11H,12H2,1H3,(H3,20,21,22,24).
What are the key properties of 5-[3-[(1-methyl-5-phenylpyrazol-3-yl)methoxy]phenyl]-2H-triazol-4-amine?
5-[3-[(1-methyl-5-phenylpyrazol-3-yl)methoxy]phenyl]-2H-triazol-4-amine has a molecular weight of 346.39 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(1-methyl-5-phenylpyrazol-3-yl)methoxy]phenyl]-2H-triazol-4-amine is sourced from PubChem (CID 170147966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).