1-(1-methylpyrazol-3-yl)-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)propan-1-amine

C17H24N4 — CID 138056852

IUPAC1-(1-methylpyrazol-3-yl)-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)propan-1-amine
SMILESCCC(NCC1Cc2ccccc2CN1)c1ccn(C)n1
InChIInChI=1S/C17H24N4/c1-3-16(17-8-9-21(2)20-17)19-12-15-10-13-6-4-5-7-14(13)11-18-15/h4-9,15-16,18-19H,3,10-12H2,1-2H3
InChIKeyGLEUGXLCKOVJKU-UHFFFAOYSA-N
MW284.41 g/mol
LogP2.18
Rot. Bonds5

About 1-(1-methylpyrazol-3-yl)-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)propan-1-amine

1-(1-methylpyrazol-3-yl)-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)propan-1-amine (PubChem CID 138056852) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 1-(1-methylpyrazol-3-yl)-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name1-(1-methylpyrazol-3-yl)-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)propan-1-amine
PubChem CID138056852
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name1-(1-methylpyrazol-3-yl)-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)propan-1-amine
SMILESCCC(NCC1Cc2ccccc2CN1)c1ccn(C)n1
InChIInChI=1S/C17H24N4/c1-3-16(17-8-9-21(2)20-17)19-12-15-10-13-6-4-5-7-14(13)11-18-15/h4-9,15-16,18-19H,3,10-12H2,1-2H3
InChIKeyGLEUGXLCKOVJKU-UHFFFAOYSA-N
XLogP2.18
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-3-yl)-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)propan-1-amine?
The IUPAC name of 1-(1-methylpyrazol-3-yl)-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)propan-1-amine (CID 138056852) is 1-(1-methylpyrazol-3-yl)-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)propan-1-amine.
What is the SMILES notation for 1-(1-methylpyrazol-3-yl)-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)propan-1-amine?
The canonical SMILES for 1-(1-methylpyrazol-3-yl)-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)propan-1-amine is CCC(NCC1Cc2ccccc2CN1)c1ccn(C)n1.
What is the InChIKey of 1-(1-methylpyrazol-3-yl)-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)propan-1-amine?
The InChIKey is GLEUGXLCKOVJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-3-16(17-8-9-21(2)20-17)19-12-15-10-13-6-4-5-7-14(13)11-18-15/h4-9,15-16,18-19H,3,10-12H2,1-2H3.
What are the key properties of 1-(1-methylpyrazol-3-yl)-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)propan-1-amine?
1-(1-methylpyrazol-3-yl)-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)propan-1-amine has a molecular weight of 284.41 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-3-yl)-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)propan-1-amine is sourced from PubChem (CID 138056852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).