1-(3,4-dihydro-1H-isochromen-1-yl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine

C17H23N3O — CID 105103456

IUPAC1-(3,4-dihydro-1H-isochromen-1-yl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine
SMILESCCCn1cc(C(NC)C2OCCc3ccccc32)cn1
InChIInChI=1S/C17H23N3O/c1-3-9-20-12-14(11-19-20)16(18-2)17-15-7-5-4-6-13(15)8-10-21-17/h4-7,11-12,16-18H,3,8-10H2,1-2H3
InChIKeyXDYILIOZVGUXLR-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.87
Rot. Bonds5

About 1-(3,4-dihydro-1H-isochromen-1-yl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine

1-(3,4-dihydro-1H-isochromen-1-yl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine (PubChem CID 105103456) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-(3,4-dihydro-1H-isochromen-1-yl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine.

Molecular Properties

Compound Name1-(3,4-dihydro-1H-isochromen-1-yl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine
PubChem CID105103456
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name1-(3,4-dihydro-1H-isochromen-1-yl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine
SMILESCCCn1cc(C(NC)C2OCCc3ccccc32)cn1
InChIInChI=1S/C17H23N3O/c1-3-9-20-12-14(11-19-20)16(18-2)17-15-7-5-4-6-13(15)8-10-21-17/h4-7,11-12,16-18H,3,8-10H2,1-2H3
InChIKeyXDYILIOZVGUXLR-UHFFFAOYSA-N
XLogP2.87
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dihydro-1H-isochromen-1-yl)-N-methyl-1-phenylmethanamine
CID 105083589
1-(4-bromo-1-methylpyrazol-5-yl)-1-(3,4-dihydro-1H-isochromen-1-yl)-N-methylmethanamine
CID 105189671
1-(4-bromo-1-ethylpyrazol-5-yl)-1-(3,4-dihydro-1H-isochromen-1-yl)-N-methylmethanamine
CID 105182833
3,4-dihydro-1H-isochromen-1-yl-(1-propylpyrazol-4-yl)methanone
CID 105082158
N-[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(1-propylpyrazol-4-yl)methyl]propan-1-amine
CID 64984224
N-[3,4-dihydro-1H-isochromen-1-yl(pyrimidin-5-yl)methyl]ethanamine
CID 105118645
(1-propylpyrazol-4-yl)-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanol
CID 103572684
1-(3,4-dihydro-1H-isochromen-1-yl)-N-methyl-1-(2-methylphenyl)methanamine
CID 105094435
N-[3,4-dihydro-1H-isochromen-1-yl-(3-methyltriazol-4-yl)methyl]propan-1-amine
CID 105184735
7-bicyclo[4.2.0]octa-1,3,5-trienyl-(1-propylpyrazol-4-yl)methanol
CID 64986776
1-cyclooctyl-N-methyl-1-(1-propylpyrazol-4-yl)methanamine
CID 80603467
[3,4-dihydro-2H-chromen-4-yl-(1-propylpyrazol-4-yl)methyl]hydrazine
CID 105233771

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-1H-isochromen-1-yl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine?
The IUPAC name of 1-(3,4-dihydro-1H-isochromen-1-yl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine (CID 105103456) is 1-(3,4-dihydro-1H-isochromen-1-yl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine.
What is the SMILES notation for 1-(3,4-dihydro-1H-isochromen-1-yl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine?
The canonical SMILES for 1-(3,4-dihydro-1H-isochromen-1-yl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine is CCCn1cc(C(NC)C2OCCc3ccccc32)cn1.
What is the InChIKey of 1-(3,4-dihydro-1H-isochromen-1-yl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine?
The InChIKey is XDYILIOZVGUXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-3-9-20-12-14(11-19-20)16(18-2)17-15-7-5-4-6-13(15)8-10-21-17/h4-7,11-12,16-18H,3,8-10H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-1H-isochromen-1-yl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine?
1-(3,4-dihydro-1H-isochromen-1-yl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine has a molecular weight of 285.39 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-1H-isochromen-1-yl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine is sourced from PubChem (CID 105103456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).