7-methoxy-N-[3-(4-methylpyrazol-1-yl)propyl]-1,2,3,4-tetrahydronaphthalen-2-amine

C18H25N3O — CID 84589689

IUPAC7-methoxy-N-[3-(4-methylpyrazol-1-yl)propyl]-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCOc1ccc2c(c1)CC(NCCCn1cc(C)cn1)CC2
InChIInChI=1S/C18H25N3O/c1-14-12-20-21(13-14)9-3-8-19-17-6-4-15-5-7-18(22-2)11-16(15)10-17/h5,7,11-13,17,19H,3-4,6,8-10H2,1-2H3
InChIKeyYAZRXKRHWVBCTE-UHFFFAOYSA-N
MW299.42 g/mol
LogP2.74
Rot. Bonds6

About 7-methoxy-N-[3-(4-methylpyrazol-1-yl)propyl]-1,2,3,4-tetrahydronaphthalen-2-amine

7-methoxy-N-[3-(4-methylpyrazol-1-yl)propyl]-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 84589689) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is 7-methoxy-N-[3-(4-methylpyrazol-1-yl)propyl]-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name7-methoxy-N-[3-(4-methylpyrazol-1-yl)propyl]-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID84589689
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name7-methoxy-N-[3-(4-methylpyrazol-1-yl)propyl]-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCOc1ccc2c(c1)CC(NCCCn1cc(C)cn1)CC2
InChIInChI=1S/C18H25N3O/c1-14-12-20-21(13-14)9-3-8-19-17-6-4-15-5-7-18(22-2)11-16(15)10-17/h5,7,11-13,17,19H,3-4,6,8-10H2,1-2H3
InChIKeyYAZRXKRHWVBCTE-UHFFFAOYSA-N
XLogP2.74
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-[3-(4-methylpyrazol-1-yl)propyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of 7-methoxy-N-[3-(4-methylpyrazol-1-yl)propyl]-1,2,3,4-tetrahydronaphthalen-2-amine (CID 84589689) is 7-methoxy-N-[3-(4-methylpyrazol-1-yl)propyl]-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for 7-methoxy-N-[3-(4-methylpyrazol-1-yl)propyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for 7-methoxy-N-[3-(4-methylpyrazol-1-yl)propyl]-1,2,3,4-tetrahydronaphthalen-2-amine is COc1ccc2c(c1)CC(NCCCn1cc(C)cn1)CC2.
What is the InChIKey of 7-methoxy-N-[3-(4-methylpyrazol-1-yl)propyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is YAZRXKRHWVBCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-14-12-20-21(13-14)9-3-8-19-17-6-4-15-5-7-18(22-2)11-16(15)10-17/h5,7,11-13,17,19H,3-4,6,8-10H2,1-2H3.
What are the key properties of 7-methoxy-N-[3-(4-methylpyrazol-1-yl)propyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
7-methoxy-N-[3-(4-methylpyrazol-1-yl)propyl]-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 299.42 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-[3-(4-methylpyrazol-1-yl)propyl]-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 84589689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).