N-(2-methoxyethyl)-N-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]propan-2-amine

C21H27N3O2 — CID 23724027

IUPACN-(2-methoxyethyl)-N-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]propan-2-amine
SMILESCOCCN(Cc1cn[nH]c1-c1ccc2cc(OC)ccc2c1)C(C)C
InChIInChI=1S/C21H27N3O2/c1-15(2)24(9-10-25-3)14-19-13-22-23-21(19)18-6-5-17-12-20(26-4)8-7-16(17)11-18/h5-8,11-13,15H,9-10,14H2,1-4H3,(H,22,23)
InChIKeyOSJWFIPQTSZRPL-UHFFFAOYSA-N
MW353.47 g/mol
LogP4.10
Rot. Bonds8

About N-(2-methoxyethyl)-N-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]propan-2-amine

N-(2-methoxyethyl)-N-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]propan-2-amine (PubChem CID 23724027) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]propan-2-amine
PubChem CID23724027
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC NameN-(2-methoxyethyl)-N-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]propan-2-amine
SMILESCOCCN(Cc1cn[nH]c1-c1ccc2cc(OC)ccc2c1)C(C)C
InChIInChI=1S/C21H27N3O2/c1-15(2)24(9-10-25-3)14-19-13-22-23-21(19)18-6-5-17-12-20(26-4)8-7-16(17)11-18/h5-8,11-13,15H,9-10,14H2,1-4H3,(H,22,23)
InChIKeyOSJWFIPQTSZRPL-UHFFFAOYSA-N
XLogP4.10
TPSA50.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-(2-methoxyethyl)-N-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]propan-2-amine (CID 23724027) is N-(2-methoxyethyl)-N-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-(2-methoxyethyl)-N-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-(2-methoxyethyl)-N-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]propan-2-amine is COCCN(Cc1cn[nH]c1-c1ccc2cc(OC)ccc2c1)C(C)C.
What is the InChIKey of N-(2-methoxyethyl)-N-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]propan-2-amine?
The InChIKey is OSJWFIPQTSZRPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-15(2)24(9-10-25-3)14-19-13-22-23-21(19)18-6-5-17-12-20(26-4)8-7-16(17)11-18/h5-8,11-13,15H,9-10,14H2,1-4H3,(H,22,23).
What are the key properties of N-(2-methoxyethyl)-N-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]propan-2-amine?
N-(2-methoxyethyl)-N-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]propan-2-amine has a molecular weight of 353.47 g/mol, XLogP of 4.10, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 23724027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).