(2-ethoxyphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine

C16H23N3O2 — CID 114659698

IUPAC(2-ethoxyphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine
SMILESCCCn1ncc(OC)c1C(N)c1ccccc1OCC
InChIInChI=1S/C16H23N3O2/c1-4-10-19-16(14(20-3)11-18-19)15(17)12-8-6-7-9-13(12)21-5-2/h6-9,11,15H,4-5,10,17H2,1-3H3
InChIKeyOQNIZUPBLIXFQN-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.75
Rot. Bonds7

About (2-ethoxyphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine

(2-ethoxyphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine (PubChem CID 114659698) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is (2-ethoxyphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine.

Molecular Properties

Compound Name(2-ethoxyphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine
PubChem CID114659698
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name(2-ethoxyphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine
SMILESCCCn1ncc(OC)c1C(N)c1ccccc1OCC
InChIInChI=1S/C16H23N3O2/c1-4-10-19-16(14(20-3)11-18-19)15(17)12-8-6-7-9-13(12)21-5-2/h6-9,11,15H,4-5,10,17H2,1-3H3
InChIKeyOQNIZUPBLIXFQN-UHFFFAOYSA-N
XLogP2.75
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-ethoxyphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanol
CID 114634116
(4-methoxy-1-propylpyrazol-5-yl)-(4-methyl-3-pyridinyl)methanamine
CID 114877837
1-(4-methoxy-1-propylpyrazol-5-yl)-2-phenoxyethanamine
CID 114649620
(4-methoxy-1-propylpyrazol-5-yl)-pyrimidin-4-ylmethanamine
CID 114652255
(4-methoxy-1-propylpyrazol-5-yl)-(5-methylpyrazin-2-yl)methanamine
CID 105187158
(3,5-dimethylphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine
CID 105048688
(4-bromo-1-propylpyrazol-5-yl)-(2-ethoxyphenyl)methanol
CID 114634115
1-(4-methoxy-1-propylpyrazol-5-yl)-2-phenylbutan-1-amine
CID 105048844
(4-methoxy-1-propylpyrazol-5-yl)-thieno[3,2-b]thiophen-5-ylmethanamine
CID 105048967
3-methoxy-1-(4-methoxy-1-propylpyrazol-5-yl)propan-1-amine
CID 114648518
(4,5-dimethylthiophen-2-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine
CID 105048908
2-(2,6-dichlorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)ethanamine
CID 114649071

Frequently Asked Questions

What is the IUPAC name of (2-ethoxyphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine?
The IUPAC name of (2-ethoxyphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine (CID 114659698) is (2-ethoxyphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine.
What is the SMILES notation for (2-ethoxyphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine?
The canonical SMILES for (2-ethoxyphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine is CCCn1ncc(OC)c1C(N)c1ccccc1OCC.
What is the InChIKey of (2-ethoxyphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine?
The InChIKey is OQNIZUPBLIXFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-4-10-19-16(14(20-3)11-18-19)15(17)12-8-6-7-9-13(12)21-5-2/h6-9,11,15H,4-5,10,17H2,1-3H3.
What are the key properties of (2-ethoxyphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine?
(2-ethoxyphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine has a molecular weight of 289.38 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxyphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine is sourced from PubChem (CID 114659698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).