N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(6-ethoxy-2,3-dihydro-1H-inden-5-yl)-N-methylmethanamine

C19H27N3O — CID 77081072

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(6-ethoxy-2,3-dihydro-1H-inden-5-yl)-N-methylmethanamine
SMILESCCOc1cc2c(cc1CN(C)Cc1cnn(C)c1C)CCC2
InChIInChI=1S/C19H27N3O/c1-5-23-19-10-16-8-6-7-15(16)9-17(19)12-21(3)13-18-11-20-22(4)14(18)2/h9-11H,5-8,12-13H2,1-4H3
InChIKeyUGUJLTIFTJDBRD-UHFFFAOYSA-N
MW313.45 g/mol
LogP3.25
Rot. Bonds6

About N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(6-ethoxy-2,3-dihydro-1H-inden-5-yl)-N-methylmethanamine

N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(6-ethoxy-2,3-dihydro-1H-inden-5-yl)-N-methylmethanamine (PubChem CID 77081072) has the molecular formula C19H27N3O and a molecular weight of 313.45 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(6-ethoxy-2,3-dihydro-1H-inden-5-yl)-N-methylmethanamine.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(6-ethoxy-2,3-dihydro-1H-inden-5-yl)-N-methylmethanamine
PubChem CID77081072
Molecular FormulaC19H27N3O
Molecular Weight313.45 g/mol
Exact Mass313.22
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(6-ethoxy-2,3-dihydro-1H-inden-5-yl)-N-methylmethanamine
SMILESCCOc1cc2c(cc1CN(C)Cc1cnn(C)c1C)CCC2
InChIInChI=1S/C19H27N3O/c1-5-23-19-10-16-8-6-7-15(16)9-17(19)12-21(3)13-18-11-20-22(4)14(18)2/h9-11H,5-8,12-13H2,1-4H3
InChIKeyUGUJLTIFTJDBRD-UHFFFAOYSA-N
XLogP3.25
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(6-ethoxy-2,3-dihydro-1H-inden-5-yl)-N-methylmethanamine?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(6-ethoxy-2,3-dihydro-1H-inden-5-yl)-N-methylmethanamine (CID 77081072) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(6-ethoxy-2,3-dihydro-1H-inden-5-yl)-N-methylmethanamine.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(6-ethoxy-2,3-dihydro-1H-inden-5-yl)-N-methylmethanamine?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(6-ethoxy-2,3-dihydro-1H-inden-5-yl)-N-methylmethanamine is CCOc1cc2c(cc1CN(C)Cc1cnn(C)c1C)CCC2.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(6-ethoxy-2,3-dihydro-1H-inden-5-yl)-N-methylmethanamine?
The InChIKey is UGUJLTIFTJDBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O/c1-5-23-19-10-16-8-6-7-15(16)9-17(19)12-21(3)13-18-11-20-22(4)14(18)2/h9-11H,5-8,12-13H2,1-4H3.
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(6-ethoxy-2,3-dihydro-1H-inden-5-yl)-N-methylmethanamine?
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(6-ethoxy-2,3-dihydro-1H-inden-5-yl)-N-methylmethanamine has a molecular weight of 313.45 g/mol, XLogP of 3.25, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(6-ethoxy-2,3-dihydro-1H-inden-5-yl)-N-methylmethanamine is sourced from PubChem (CID 77081072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).