1-(2-ethyl-5-methylpyrazol-3-yl)-1-(2-methoxy-5-methylphenyl)-N-methylmethanamine

C16H23N3O — CID 105144094

IUPAC1-(2-ethyl-5-methylpyrazol-3-yl)-1-(2-methoxy-5-methylphenyl)-N-methylmethanamine
SMILESCCn1nc(C)cc1C(NC)c1cc(C)ccc1OC
InChIInChI=1S/C16H23N3O/c1-6-19-14(10-12(3)18-19)16(17-4)13-9-11(2)7-8-15(13)20-5/h7-10,16-17H,6H2,1-5H3
InChIKeyFJVOHCAIWHYKLP-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.84
Rot. Bonds5

About 1-(2-ethyl-5-methylpyrazol-3-yl)-1-(2-methoxy-5-methylphenyl)-N-methylmethanamine

1-(2-ethyl-5-methylpyrazol-3-yl)-1-(2-methoxy-5-methylphenyl)-N-methylmethanamine (PubChem CID 105144094) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-(2-ethyl-5-methylpyrazol-3-yl)-1-(2-methoxy-5-methylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-ethyl-5-methylpyrazol-3-yl)-1-(2-methoxy-5-methylphenyl)-N-methylmethanamine
PubChem CID105144094
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name1-(2-ethyl-5-methylpyrazol-3-yl)-1-(2-methoxy-5-methylphenyl)-N-methylmethanamine
SMILESCCn1nc(C)cc1C(NC)c1cc(C)ccc1OC
InChIInChI=1S/C16H23N3O/c1-6-19-14(10-12(3)18-19)16(17-4)13-9-11(2)7-8-15(13)20-5/h7-10,16-17H,6H2,1-5H3
InChIKeyFJVOHCAIWHYKLP-UHFFFAOYSA-N
XLogP2.84
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2,5-dimethoxyphenyl)-(2-ethyl-5-methylpyrazol-3-yl)methyl]hydrazine
CID 105305109
1-(2-ethyl-5-methylpyrazol-3-yl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine
CID 105164299
1-(2,3-difluorophenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)-N-methylmethanamine
CID 105150858
1-(2-methoxy-5-methylphenyl)-N-methyl-1-(1H-pyrazol-5-yl)methanamine
CID 114991164
(2-ethyl-5-methylpyrazol-3-yl)-(5-fluoro-2-methoxyphenyl)methanamine
CID 105176567
N-[(2-ethyl-5-methylpyrazol-3-yl)-(2-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 105143126
1-(3-ethyl-2-pyridinyl)-1-(2-methoxy-5-methylphenyl)-N-methylmethanamine
CID 82729981
1-(2-ethyl-5-methylpyrazol-3-yl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 105122368
1-(2,3-dihydro-1-benzofuran-7-yl)-1-(2-ethyl-5-methylpyrazol-3-yl)-N-methylmethanamine
CID 105189437
1-(2-methoxy-5-methylphenyl)-N-methyl-1-(2,4,6-trimethylphenyl)methanamine
CID 43626284
[(2-ethyl-5-methylpyrazol-3-yl)-(4-methylphenyl)methyl]hydrazine
CID 105285400
1-(2-methoxy-5-methylphenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 105047026

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-5-methylpyrazol-3-yl)-1-(2-methoxy-5-methylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(2-ethyl-5-methylpyrazol-3-yl)-1-(2-methoxy-5-methylphenyl)-N-methylmethanamine (CID 105144094) is 1-(2-ethyl-5-methylpyrazol-3-yl)-1-(2-methoxy-5-methylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-ethyl-5-methylpyrazol-3-yl)-1-(2-methoxy-5-methylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2-ethyl-5-methylpyrazol-3-yl)-1-(2-methoxy-5-methylphenyl)-N-methylmethanamine is CCn1nc(C)cc1C(NC)c1cc(C)ccc1OC.
What is the InChIKey of 1-(2-ethyl-5-methylpyrazol-3-yl)-1-(2-methoxy-5-methylphenyl)-N-methylmethanamine?
The InChIKey is FJVOHCAIWHYKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-6-19-14(10-12(3)18-19)16(17-4)13-9-11(2)7-8-15(13)20-5/h7-10,16-17H,6H2,1-5H3.
What are the key properties of 1-(2-ethyl-5-methylpyrazol-3-yl)-1-(2-methoxy-5-methylphenyl)-N-methylmethanamine?
1-(2-ethyl-5-methylpyrazol-3-yl)-1-(2-methoxy-5-methylphenyl)-N-methylmethanamine has a molecular weight of 273.38 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-5-methylpyrazol-3-yl)-1-(2-methoxy-5-methylphenyl)-N-methylmethanamine is sourced from PubChem (CID 105144094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).