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

C12H15N3O — CID 107105999

IUPAC[3-methyl-2-(1-methylpyrazol-4-yl)oxyphenyl]methanamine
SMILESCc1cccc(CN)c1Oc1cnn(C)c1
InChIInChI=1S/C12H15N3O/c1-9-4-3-5-10(6-13)12(9)16-11-7-14-15(2)8-11/h3-5,7-8H,6,13H2,1-2H3
InChIKeySTPUHVOFWFSFEY-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.98
Rot. Bonds3

About [3-methyl-2-(1-methylpyrazol-4-yl)oxyphenyl]methanamine

[3-methyl-2-(1-methylpyrazol-4-yl)oxyphenyl]methanamine (PubChem CID 107105999) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is [3-methyl-2-(1-methylpyrazol-4-yl)oxyphenyl]methanamine.

Molecular Properties

Compound Name[3-methyl-2-(1-methylpyrazol-4-yl)oxyphenyl]methanamine
PubChem CID107105999
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name[3-methyl-2-(1-methylpyrazol-4-yl)oxyphenyl]methanamine
SMILESCc1cccc(CN)c1Oc1cnn(C)c1
InChIInChI=1S/C12H15N3O/c1-9-4-3-5-10(6-13)12(9)16-11-7-14-15(2)8-11/h3-5,7-8H,6,13H2,1-2H3
InChIKeySTPUHVOFWFSFEY-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)oxyphenyl]methanamine
CID 107926547
(3-methyl-2-phosphanyloxyphenyl)methanamine
CID 143384001
(3-methyl-2-naphthalen-2-yloxyphenyl)methanamine
CID 107105912
8-methyl-4-(1-methylpyrazol-4-yl)oxyquinazoline
CID 133487402
[2-methyl-3-(1-methylpyrazol-4-yl)phenyl]methanamine
CID 171364559
[3-bromo-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanamine
CID 61389688
2-(aminomethyl)-N,6-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 107105590
[2-(6-bromonaphthalen-2-yl)oxy-3-methylphenyl]methanamine
CID 107105947
6-(1-methylpyrazol-4-yl)oxypyridin-2-amine
CID 116794360
[2-(2,5-dimethylphenoxy)-3-methylphenyl]methanamine
CID 107105904
N-methyl-1-[3-methyl-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanamine
CID 102999924
3-methyl-2-(1-propylpyrazol-4-yl)oxybenzoic acid
CID 107112612

Frequently Asked Questions

What is the IUPAC name of [3-methyl-2-(1-methylpyrazol-4-yl)oxyphenyl]methanamine?
The IUPAC name of [3-methyl-2-(1-methylpyrazol-4-yl)oxyphenyl]methanamine (CID 107105999) is [3-methyl-2-(1-methylpyrazol-4-yl)oxyphenyl]methanamine.
What is the SMILES notation for [3-methyl-2-(1-methylpyrazol-4-yl)oxyphenyl]methanamine?
The canonical SMILES for [3-methyl-2-(1-methylpyrazol-4-yl)oxyphenyl]methanamine is Cc1cccc(CN)c1Oc1cnn(C)c1.
What is the InChIKey of [3-methyl-2-(1-methylpyrazol-4-yl)oxyphenyl]methanamine?
The InChIKey is STPUHVOFWFSFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-9-4-3-5-10(6-13)12(9)16-11-7-14-15(2)8-11/h3-5,7-8H,6,13H2,1-2H3.
What are the key properties of [3-methyl-2-(1-methylpyrazol-4-yl)oxyphenyl]methanamine?
[3-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 [3-methyl-2-(1-methylpyrazol-4-yl)oxyphenyl]methanamine is sourced from PubChem (CID 107105999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).