1-[1,3-dimethyl-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrazol-4-yl]-N-methylmethanamine

C17H23N3O — CID 61398675

IUPAC1-[1,3-dimethyl-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrazol-4-yl]-N-methylmethanamine
SMILESCNCc1c(C)nn(C)c1Oc1ccc2c(c1)CCCC2
InChIInChI=1S/C17H23N3O/c1-12-16(11-18-2)17(20(3)19-12)21-15-9-8-13-6-4-5-7-14(13)10-15/h8-10,18H,4-7,11H2,1-3H3
InChIKeyGXKNKHMULIVQIZ-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.12
Rot. Bonds4

About 1-[1,3-dimethyl-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrazol-4-yl]-N-methylmethanamine

1-[1,3-dimethyl-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrazol-4-yl]-N-methylmethanamine (PubChem CID 61398675) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-[1,3-dimethyl-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1,3-dimethyl-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrazol-4-yl]-N-methylmethanamine
PubChem CID61398675
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name1-[1,3-dimethyl-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrazol-4-yl]-N-methylmethanamine
SMILESCNCc1c(C)nn(C)c1Oc1ccc2c(c1)CCCC2
InChIInChI=1S/C17H23N3O/c1-12-16(11-18-2)17(20(3)19-12)21-15-9-8-13-6-4-5-7-14(13)10-15/h8-10,18H,4-7,11H2,1-3H3
InChIKeyGXKNKHMULIVQIZ-UHFFFAOYSA-N
XLogP3.12
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1,3-dimethyl-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[1,3-dimethyl-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrazol-4-yl]-N-methylmethanamine (CID 61398675) is 1-[1,3-dimethyl-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1,3-dimethyl-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1,3-dimethyl-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrazol-4-yl]-N-methylmethanamine is CNCc1c(C)nn(C)c1Oc1ccc2c(c1)CCCC2.
What is the InChIKey of 1-[1,3-dimethyl-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrazol-4-yl]-N-methylmethanamine?
The InChIKey is GXKNKHMULIVQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-12-16(11-18-2)17(20(3)19-12)21-15-9-8-13-6-4-5-7-14(13)10-15/h8-10,18H,4-7,11H2,1-3H3.
What are the key properties of 1-[1,3-dimethyl-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrazol-4-yl]-N-methylmethanamine?
1-[1,3-dimethyl-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrazol-4-yl]-N-methylmethanamine has a molecular weight of 285.39 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,3-dimethyl-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 61398675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).