(1,3-diethylpyrazol-5-yl)-(2,6-dimethoxyphenyl)methanamine

C16H23N3O2 — CID 105188707

IUPAC(1,3-diethylpyrazol-5-yl)-(2,6-dimethoxyphenyl)methanamine
SMILESCCc1cc(C(N)c2c(OC)cccc2OC)n(CC)n1
InChIInChI=1S/C16H23N3O2/c1-5-11-10-12(19(6-2)18-11)16(17)15-13(20-3)8-7-9-14(15)21-4/h7-10,16H,5-6,17H2,1-4H3
InChIKeyLLCSBOCQKLIHJR-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.53
Rot. Bonds6

About (1,3-diethylpyrazol-5-yl)-(2,6-dimethoxyphenyl)methanamine

(1,3-diethylpyrazol-5-yl)-(2,6-dimethoxyphenyl)methanamine (PubChem CID 105188707) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is (1,3-diethylpyrazol-5-yl)-(2,6-dimethoxyphenyl)methanamine.

Molecular Properties

Compound Name(1,3-diethylpyrazol-5-yl)-(2,6-dimethoxyphenyl)methanamine
PubChem CID105188707
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name(1,3-diethylpyrazol-5-yl)-(2,6-dimethoxyphenyl)methanamine
SMILESCCc1cc(C(N)c2c(OC)cccc2OC)n(CC)n1
InChIInChI=1S/C16H23N3O2/c1-5-11-10-12(19(6-2)18-11)16(17)15-13(20-3)8-7-9-14(15)21-4/h7-10,16H,5-6,17H2,1-4H3
InChIKeyLLCSBOCQKLIHJR-UHFFFAOYSA-N
XLogP2.53
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1,3-diethylpyrazol-5-yl)-(2-methoxy-4,6-dimethylphenyl)methanamine
CID 106682077
(1,3-diethylpyrazol-5-yl)-(3,4-dimethylphenyl)methanamine
CID 105140273
(1,3-diethylpyrazol-5-yl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 103397297
1-benzofuran-2-yl-(1,3-diethylpyrazol-5-yl)methanamine
CID 105184781
1-(2,6-dimethoxyphenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
CID 105002556
1,3-diethyl-5-propan-2-ylpyrazole
CID 118564106
(3-ethyl-1-methylpyrazol-5-yl)-(5-fluoro-2-methoxyphenyl)methanamine
CID 105176507
[(1,3-diethylpyrazol-5-yl)-(2-ethoxyphenyl)methyl]hydrazine
CID 105304394
(2-ethyl-5-methylpyrazol-3-yl)-(5-fluoro-2-methoxyphenyl)methanamine
CID 105176567
1-(1,3-diethylpyrazol-5-yl)-3-phenylpropan-1-amine
CID 105093971
(2,6-dimethoxyphenyl)-(1-ethylpyrazol-4-yl)methanamine
CID 115815562
[(1,3-diethylpyrazol-5-yl)-(2,6-difluorophenyl)methyl]hydrazine
CID 105308082

Frequently Asked Questions

What is the IUPAC name of (1,3-diethylpyrazol-5-yl)-(2,6-dimethoxyphenyl)methanamine?
The IUPAC name of (1,3-diethylpyrazol-5-yl)-(2,6-dimethoxyphenyl)methanamine (CID 105188707) is (1,3-diethylpyrazol-5-yl)-(2,6-dimethoxyphenyl)methanamine.
What is the SMILES notation for (1,3-diethylpyrazol-5-yl)-(2,6-dimethoxyphenyl)methanamine?
The canonical SMILES for (1,3-diethylpyrazol-5-yl)-(2,6-dimethoxyphenyl)methanamine is CCc1cc(C(N)c2c(OC)cccc2OC)n(CC)n1.
What is the InChIKey of (1,3-diethylpyrazol-5-yl)-(2,6-dimethoxyphenyl)methanamine?
The InChIKey is LLCSBOCQKLIHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-5-11-10-12(19(6-2)18-11)16(17)15-13(20-3)8-7-9-14(15)21-4/h7-10,16H,5-6,17H2,1-4H3.
What are the key properties of (1,3-diethylpyrazol-5-yl)-(2,6-dimethoxyphenyl)methanamine?
(1,3-diethylpyrazol-5-yl)-(2,6-dimethoxyphenyl)methanamine has a molecular weight of 289.38 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-diethylpyrazol-5-yl)-(2,6-dimethoxyphenyl)methanamine is sourced from PubChem (CID 105188707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).