1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-N-[[1-methyl-3-(5-methylfuran-2-yl)pyrazol-4-yl]methyl]methanamine

C20H23N3O2 — CID 166255395

IUPAC1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-N-[[1-methyl-3-(5-methylfuran-2-yl)pyrazol-4-yl]methyl]methanamine
SMILESCc1ccc(-c2nn(C)cc2CNCc2ccc3c(c2)CC(C)O3)o1
InChIInChI=1S/C20H23N3O2/c1-13-4-6-19(24-13)20-17(12-23(3)22-20)11-21-10-15-5-7-18-16(9-15)8-14(2)25-18/h4-7,9,12,14,21H,8,10-11H2,1-3H3
InChIKeyWEERBFLMBWTXSI-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.60
Rot. Bonds5

About 1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-N-[[1-methyl-3-(5-methylfuran-2-yl)pyrazol-4-yl]methyl]methanamine

1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-N-[[1-methyl-3-(5-methylfuran-2-yl)pyrazol-4-yl]methyl]methanamine (PubChem CID 166255395) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-N-[[1-methyl-3-(5-methylfuran-2-yl)pyrazol-4-yl]methyl]methanamine.

Molecular Properties

Compound Name1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-N-[[1-methyl-3-(5-methylfuran-2-yl)pyrazol-4-yl]methyl]methanamine
PubChem CID166255395
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-N-[[1-methyl-3-(5-methylfuran-2-yl)pyrazol-4-yl]methyl]methanamine
SMILESCc1ccc(-c2nn(C)cc2CNCc2ccc3c(c2)CC(C)O3)o1
InChIInChI=1S/C20H23N3O2/c1-13-4-6-19(24-13)20-17(12-23(3)22-20)11-21-10-15-5-7-18-16(9-15)8-14(2)25-18/h4-7,9,12,14,21H,8,10-11H2,1-3H3
InChIKeyWEERBFLMBWTXSI-UHFFFAOYSA-N
XLogP3.60
TPSA52.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-N-[[1-methyl-3-(5-methylfuran-2-yl)pyrazol-4-yl]methyl]methanamine?
The IUPAC name of 1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-N-[[1-methyl-3-(5-methylfuran-2-yl)pyrazol-4-yl]methyl]methanamine (CID 166255395) is 1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-N-[[1-methyl-3-(5-methylfuran-2-yl)pyrazol-4-yl]methyl]methanamine.
What is the SMILES notation for 1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-N-[[1-methyl-3-(5-methylfuran-2-yl)pyrazol-4-yl]methyl]methanamine?
The canonical SMILES for 1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-N-[[1-methyl-3-(5-methylfuran-2-yl)pyrazol-4-yl]methyl]methanamine is Cc1ccc(-c2nn(C)cc2CNCc2ccc3c(c2)CC(C)O3)o1.
What is the InChIKey of 1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-N-[[1-methyl-3-(5-methylfuran-2-yl)pyrazol-4-yl]methyl]methanamine?
The InChIKey is WEERBFLMBWTXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-13-4-6-19(24-13)20-17(12-23(3)22-20)11-21-10-15-5-7-18-16(9-15)8-14(2)25-18/h4-7,9,12,14,21H,8,10-11H2,1-3H3.
What are the key properties of 1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-N-[[1-methyl-3-(5-methylfuran-2-yl)pyrazol-4-yl]methyl]methanamine?
1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-N-[[1-methyl-3-(5-methylfuran-2-yl)pyrazol-4-yl]methyl]methanamine has a molecular weight of 337.42 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-N-[[1-methyl-3-(5-methylfuran-2-yl)pyrazol-4-yl]methyl]methanamine is sourced from PubChem (CID 166255395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).