[3-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]methanamine

C11H13N3O — CID 102814719

IUPAC[3-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]methanamine
SMILESCc1cc(Oc2cccc(CN)c2)n[nH]1
InChIInChI=1S/C11H13N3O/c1-8-5-11(14-13-8)15-10-4-2-3-9(6-10)7-12/h2-6H,7,12H2,1H3,(H,13,14)
InChIKeyTVKOSEWPSTYUDW-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.97
Rot. Bonds3

About [3-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]methanamine

[3-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]methanamine (PubChem CID 102814719) has the molecular formula C11H13N3O and a molecular weight of 203.24 g/mol. Its IUPAC name is [3-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]methanamine.

Molecular Properties

Compound Name[3-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]methanamine
PubChem CID102814719
Molecular FormulaC11H13N3O
Molecular Weight203.24 g/mol
Exact Mass203.11
IUPAC Name[3-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]methanamine
SMILESCc1cc(Oc2cccc(CN)c2)n[nH]1
InChIInChI=1S/C11H13N3O/c1-8-5-11(14-13-8)15-10-4-2-3-9(6-10)7-12/h2-6H,7,12H2,1H3,(H,13,14)
InChIKeyTVKOSEWPSTYUDW-UHFFFAOYSA-N
XLogP1.97
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]methanamine
CID 81342015
[5-chloro-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-3-pyridinyl]methanamine
CID 81342055
2-(chloromethyl)-6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridine
CID 81341581
3-[(3-methoxyphenyl)methyl]-5-methyl-1H-pyrazole
CID 82076606
3-methyl-2-[(5-methyl-1H-pyrazol-3-yl)oxy]aniline
CID 115550991
[4-(5-methyl-1H-pyrazol-3-yl)phenyl]methanamine
CID 82468594
[3-(4-ethoxyphenoxy)phenyl]methanamine
CID 58104515
[3-(3-propan-2-ylphenoxy)phenyl]methanamine
CID 63943480
6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridine-2-carbothioamide
CID 81342313
[6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrazin-2-yl]methanamine
CID 81342057
[3-(4-methoxypyrimidin-2-yl)oxyphenyl]methanamine
CID 16774759
[3-(3-fluorophenoxy)phenyl]methanamine hydroxide
CID 86649819

Frequently Asked Questions

What is the IUPAC name of [3-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]methanamine?
The IUPAC name of [3-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]methanamine (CID 102814719) is [3-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]methanamine.
What is the SMILES notation for [3-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]methanamine?
The canonical SMILES for [3-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]methanamine is Cc1cc(Oc2cccc(CN)c2)n[nH]1.
What is the InChIKey of [3-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]methanamine?
The InChIKey is TVKOSEWPSTYUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-8-5-11(14-13-8)15-10-4-2-3-9(6-10)7-12/h2-6H,7,12H2,1H3,(H,13,14).
What are the key properties of [3-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]methanamine?
[3-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]methanamine has a molecular weight of 203.24 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]methanamine is sourced from PubChem (CID 102814719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).