1-[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]-N-[(3-methoxyphenyl)methyl]methanamine

C18H25N3O3 — CID 118743266

IUPAC1-[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]-N-[(3-methoxyphenyl)methyl]methanamine
SMILESCOCCn1cc2c(n1)C(CNCc1cccc(OC)c1)OCC2
InChIInChI=1S/C18H25N3O3/c1-22-9-7-21-13-15-6-8-24-17(18(15)20-21)12-19-11-14-4-3-5-16(10-14)23-2/h3-5,10,13,17,19H,6-9,11-12H2,1-2H3
InChIKeyAPVVWHBSWLLIIG-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.94
Rot. Bonds8

About 1-[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]-N-[(3-methoxyphenyl)methyl]methanamine

1-[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]-N-[(3-methoxyphenyl)methyl]methanamine (PubChem CID 118743266) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 1-[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]-N-[(3-methoxyphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]-N-[(3-methoxyphenyl)methyl]methanamine
PubChem CID118743266
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name1-[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]-N-[(3-methoxyphenyl)methyl]methanamine
SMILESCOCCn1cc2c(n1)C(CNCc1cccc(OC)c1)OCC2
InChIInChI=1S/C18H25N3O3/c1-22-9-7-21-13-15-6-8-24-17(18(15)20-21)12-19-11-14-4-3-5-16(10-14)23-2/h3-5,10,13,17,19H,6-9,11-12H2,1-2H3
InChIKeyAPVVWHBSWLLIIG-UHFFFAOYSA-N
XLogP1.94
TPSA57.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]-N-[(3-methoxyphenyl)methyl]methanamine?
The IUPAC name of 1-[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]-N-[(3-methoxyphenyl)methyl]methanamine (CID 118743266) is 1-[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]-N-[(3-methoxyphenyl)methyl]methanamine.
What is the SMILES notation for 1-[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]-N-[(3-methoxyphenyl)methyl]methanamine?
The canonical SMILES for 1-[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]-N-[(3-methoxyphenyl)methyl]methanamine is COCCn1cc2c(n1)C(CNCc1cccc(OC)c1)OCC2.
What is the InChIKey of 1-[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]-N-[(3-methoxyphenyl)methyl]methanamine?
The InChIKey is APVVWHBSWLLIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-22-9-7-21-13-15-6-8-24-17(18(15)20-21)12-19-11-14-4-3-5-16(10-14)23-2/h3-5,10,13,17,19H,6-9,11-12H2,1-2H3.
What are the key properties of 1-[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]-N-[(3-methoxyphenyl)methyl]methanamine?
1-[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]-N-[(3-methoxyphenyl)methyl]methanamine has a molecular weight of 331.42 g/mol, XLogP of 1.94, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]-N-[(3-methoxyphenyl)methyl]methanamine is sourced from PubChem (CID 118743266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).