1-methyl-N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)pyrazol-3-amine

C14H18N4 — CID 103568632

IUPAC1-methyl-N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)pyrazol-3-amine
SMILESCn1ccc(NCC2NCCc3ccccc32)n1
InChIInChI=1S/C14H18N4/c1-18-9-7-14(17-18)16-10-13-12-5-3-2-4-11(12)6-8-15-13/h2-5,7,9,13,15H,6,8,10H2,1H3,(H,16,17)
InChIKeyCIUPFEJRCZPPIW-UHFFFAOYSA-N
MW242.33 g/mol
LogP1.72
Rot. Bonds3

About 1-methyl-N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)pyrazol-3-amine

1-methyl-N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)pyrazol-3-amine (PubChem CID 103568632) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 1-methyl-N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)pyrazol-3-amine.

Molecular Properties

Compound Name1-methyl-N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)pyrazol-3-amine
PubChem CID103568632
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name1-methyl-N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)pyrazol-3-amine
SMILESCn1ccc(NCC2NCCc3ccccc32)n1
InChIInChI=1S/C14H18N4/c1-18-9-7-14(17-18)16-10-13-12-5-3-2-4-11(12)6-8-15-13/h2-5,7,9,13,15H,6,8,10H2,1H3,(H,16,17)
InChIKeyCIUPFEJRCZPPIW-UHFFFAOYSA-N
XLogP1.72
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)pyrazol-3-amine?
The IUPAC name of 1-methyl-N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)pyrazol-3-amine (CID 103568632) is 1-methyl-N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)pyrazol-3-amine.
What is the SMILES notation for 1-methyl-N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)pyrazol-3-amine?
The canonical SMILES for 1-methyl-N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)pyrazol-3-amine is Cn1ccc(NCC2NCCc3ccccc32)n1.
What is the InChIKey of 1-methyl-N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)pyrazol-3-amine?
The InChIKey is CIUPFEJRCZPPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-18-9-7-14(17-18)16-10-13-12-5-3-2-4-11(12)6-8-15-13/h2-5,7,9,13,15H,6,8,10H2,1H3,(H,16,17).
What are the key properties of 1-methyl-N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)pyrazol-3-amine?
1-methyl-N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)pyrazol-3-amine has a molecular weight of 242.33 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)pyrazol-3-amine is sourced from PubChem (CID 103568632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).