1-[3-(1,3,5-trimethylpyrazol-4-yl)oxyphenyl]ethanamine

C14H19N3O — CID 79167110

IUPAC1-[3-(1,3,5-trimethylpyrazol-4-yl)oxyphenyl]ethanamine
SMILESCc1nn(C)c(C)c1Oc1cccc(C(C)N)c1
InChIInChI=1S/C14H19N3O/c1-9(15)12-6-5-7-13(8-12)18-14-10(2)16-17(4)11(14)3/h5-9H,15H2,1-4H3
InChIKeyNTEPDLIYYQHERF-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.85
Rot. Bonds3

About 1-[3-(1,3,5-trimethylpyrazol-4-yl)oxyphenyl]ethanamine

1-[3-(1,3,5-trimethylpyrazol-4-yl)oxyphenyl]ethanamine (PubChem CID 79167110) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-[3-(1,3,5-trimethylpyrazol-4-yl)oxyphenyl]ethanamine.

Molecular Properties

Compound Name1-[3-(1,3,5-trimethylpyrazol-4-yl)oxyphenyl]ethanamine
PubChem CID79167110
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name1-[3-(1,3,5-trimethylpyrazol-4-yl)oxyphenyl]ethanamine
SMILESCc1nn(C)c(C)c1Oc1cccc(C(C)N)c1
InChIInChI=1S/C14H19N3O/c1-9(15)12-6-5-7-13(8-12)18-14-10(2)16-17(4)11(14)3/h5-9H,15H2,1-4H3
InChIKeyNTEPDLIYYQHERF-UHFFFAOYSA-N
XLogP2.85
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[3-(1,3,5-trimethylpyrazol-4-yl)oxyphenyl]ethanamine
CID 79168453
(1S)-1-[3-bromo-4-(1,3,5-trimethylpyrazol-4-yl)oxyphenyl]ethanamine
CID 79012176
(1R)-1-[5-(1,3,5-trimethylpyrazol-4-yl)oxy-2-pyridinyl]ethanamine
CID 83123786
1-(3-methoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)oxyethanol
CID 81137734
1-[3-(4-methoxyphenoxy)phenyl]ethanamine
CID 79016052
4-(3,5-dichlorophenoxy)-1,3,5-trimethylpyrazole
CID 58077329
3-methyl-5-(1,3,5-trimethylpyrazol-4-yl)oxyaniline
CID 112648512
1-[3-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanamine;hydrochloride
CID 175550397
3-methoxy-5-(1,3,5-trimethylpyrazol-4-yl)oxyaniline
CID 80748204
(1S)-1-[3-[(3-methylimidazol-4-yl)methoxy]phenyl]ethanamine
CID 66139527
1-(3-methoxyphenyl)ethanamine;hydrochloride
CID 19864848
methane;(1R)-1-(3-methoxyphenyl)ethanamine
CID 160746722

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1,3,5-trimethylpyrazol-4-yl)oxyphenyl]ethanamine?
The IUPAC name of 1-[3-(1,3,5-trimethylpyrazol-4-yl)oxyphenyl]ethanamine (CID 79167110) is 1-[3-(1,3,5-trimethylpyrazol-4-yl)oxyphenyl]ethanamine.
What is the SMILES notation for 1-[3-(1,3,5-trimethylpyrazol-4-yl)oxyphenyl]ethanamine?
The canonical SMILES for 1-[3-(1,3,5-trimethylpyrazol-4-yl)oxyphenyl]ethanamine is Cc1nn(C)c(C)c1Oc1cccc(C(C)N)c1.
What is the InChIKey of 1-[3-(1,3,5-trimethylpyrazol-4-yl)oxyphenyl]ethanamine?
The InChIKey is NTEPDLIYYQHERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-9(15)12-6-5-7-13(8-12)18-14-10(2)16-17(4)11(14)3/h5-9H,15H2,1-4H3.
What are the key properties of 1-[3-(1,3,5-trimethylpyrazol-4-yl)oxyphenyl]ethanamine?
1-[3-(1,3,5-trimethylpyrazol-4-yl)oxyphenyl]ethanamine has a molecular weight of 245.33 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1,3,5-trimethylpyrazol-4-yl)oxyphenyl]ethanamine is sourced from PubChem (CID 79167110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).