[5-methyl-2-(1-methylpyrazol-4-yl)oxyphenyl]methanamine

C12H15N3O — CID 107926547

IUPAC[5-methyl-2-(1-methylpyrazol-4-yl)oxyphenyl]methanamine
SMILESCc1ccc(Oc2cnn(C)c2)c(CN)c1
InChIInChI=1S/C12H15N3O/c1-9-3-4-12(10(5-9)6-13)16-11-7-14-15(2)8-11/h3-5,7-8H,6,13H2,1-2H3
InChIKeyMVKNVUWQHZHFAA-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.98
Rot. Bonds3

About [5-methyl-2-(1-methylpyrazol-4-yl)oxyphenyl]methanamine

[5-methyl-2-(1-methylpyrazol-4-yl)oxyphenyl]methanamine (PubChem CID 107926547) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is [5-methyl-2-(1-methylpyrazol-4-yl)oxyphenyl]methanamine.

Molecular Properties

Compound Name[5-methyl-2-(1-methylpyrazol-4-yl)oxyphenyl]methanamine
PubChem CID107926547
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name[5-methyl-2-(1-methylpyrazol-4-yl)oxyphenyl]methanamine
SMILESCc1ccc(Oc2cnn(C)c2)c(CN)c1
InChIInChI=1S/C12H15N3O/c1-9-3-4-12(10(5-9)6-13)16-11-7-14-15(2)8-11/h3-5,7-8H,6,13H2,1-2H3
InChIKeyMVKNVUWQHZHFAA-UHFFFAOYSA-N
XLogP1.98
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-2-(1-methylpyrazol-4-yl)oxybenzoic acid
CID 116792581
5-methyl-2-(1-methylpyrazol-4-yl)oxybenzenecarboximidamide
CID 107930884
[3-methyl-2-(1-methylpyrazol-4-yl)oxyphenyl]methanamine
CID 107105999
[2-(3,5-difluorophenoxy)-5-methylphenyl]methanamine
CID 107926515
[2-(4-chlorophenoxy)-5-methylphenyl]methanamine
CID 107926488
4-[2-(chloromethyl)-4-methylphenoxy]-1-propylpyrazole
CID 114054833
[2-(4-fluoro-3-methylphenoxy)-5-methylphenyl]methanamine
CID 107926537
4-[4-(bromomethyl)-2-methylphenoxy]-1-methylpyrazole
CID 107089225
[5-methyl-2-(1-methylpyrazol-4-yl)sulfanylphenyl]methanamine
CID 107931460
3-fluoro-4-(1-methylpyrazol-4-yl)oxyaniline
CID 116792351
[2-[3-(methoxymethyl)phenoxy]-5-methylphenyl]methanamine
CID 107926521
4-(1-methylpyrazol-4-yl)oxybenzene-1,2-diamine
CID 106748568

Frequently Asked Questions

What is the IUPAC name of [5-methyl-2-(1-methylpyrazol-4-yl)oxyphenyl]methanamine?
The IUPAC name of [5-methyl-2-(1-methylpyrazol-4-yl)oxyphenyl]methanamine (CID 107926547) is [5-methyl-2-(1-methylpyrazol-4-yl)oxyphenyl]methanamine.
What is the SMILES notation for [5-methyl-2-(1-methylpyrazol-4-yl)oxyphenyl]methanamine?
The canonical SMILES for [5-methyl-2-(1-methylpyrazol-4-yl)oxyphenyl]methanamine is Cc1ccc(Oc2cnn(C)c2)c(CN)c1.
What is the InChIKey of [5-methyl-2-(1-methylpyrazol-4-yl)oxyphenyl]methanamine?
The InChIKey is MVKNVUWQHZHFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-9-3-4-12(10(5-9)6-13)16-11-7-14-15(2)8-11/h3-5,7-8H,6,13H2,1-2H3.
What are the key properties of [5-methyl-2-(1-methylpyrazol-4-yl)oxyphenyl]methanamine?
[5-methyl-2-(1-methylpyrazol-4-yl)oxyphenyl]methanamine has a molecular weight of 217.27 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-2-(1-methylpyrazol-4-yl)oxyphenyl]methanamine is sourced from PubChem (CID 107926547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).