1-(naphthalen-1-ylmethyl)-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)pyrazole-4-carboxamide

C24H22N4O — CID 24898600

IUPAC1-(naphthalen-1-ylmethyl)-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)pyrazole-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)CCNC2)c1cnn(Cc2cccc3ccccc23)c1
InChIInChI=1S/C24H22N4O/c29-24(27-22-9-8-19-13-25-11-10-18(19)12-22)21-14-26-28(16-21)15-20-6-3-5-17-4-1-2-7-23(17)20/h1-9,12,14,16,25H,10-11,13,15H2,(H,27,29)
InChIKeyFZUQIKXWRHBWOF-UHFFFAOYSA-N
MW382.47 g/mol
LogP3.98
Rot. Bonds4

About 1-(naphthalen-1-ylmethyl)-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)pyrazole-4-carboxamide

1-(naphthalen-1-ylmethyl)-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)pyrazole-4-carboxamide (PubChem CID 24898600) has the molecular formula C24H22N4O and a molecular weight of 382.47 g/mol. Its IUPAC name is 1-(naphthalen-1-ylmethyl)-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(naphthalen-1-ylmethyl)-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)pyrazole-4-carboxamide
PubChem CID24898600
Molecular FormulaC24H22N4O
Molecular Weight382.47 g/mol
Exact Mass382.18
IUPAC Name1-(naphthalen-1-ylmethyl)-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)pyrazole-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)CCNC2)c1cnn(Cc2cccc3ccccc23)c1
InChIInChI=1S/C24H22N4O/c29-24(27-22-9-8-19-13-25-11-10-18(19)12-22)21-14-26-28(16-21)15-20-6-3-5-17-4-1-2-7-23(17)20/h1-9,12,14,16,25H,10-11,13,15H2,(H,27,29)
InChIKeyFZUQIKXWRHBWOF-UHFFFAOYSA-N
XLogP3.98
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(naphthalen-1-ylmethyl)-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)pyrazole-4-carboxamide?
The IUPAC name of 1-(naphthalen-1-ylmethyl)-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)pyrazole-4-carboxamide (CID 24898600) is 1-(naphthalen-1-ylmethyl)-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(naphthalen-1-ylmethyl)-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(naphthalen-1-ylmethyl)-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)pyrazole-4-carboxamide is O=C(Nc1ccc2c(c1)CCNC2)c1cnn(Cc2cccc3ccccc23)c1.
What is the InChIKey of 1-(naphthalen-1-ylmethyl)-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)pyrazole-4-carboxamide?
The InChIKey is FZUQIKXWRHBWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O/c29-24(27-22-9-8-19-13-25-11-10-18(19)12-22)21-14-26-28(16-21)15-20-6-3-5-17-4-1-2-7-23(17)20/h1-9,12,14,16,25H,10-11,13,15H2,(H,27,29).
What are the key properties of 1-(naphthalen-1-ylmethyl)-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)pyrazole-4-carboxamide?
1-(naphthalen-1-ylmethyl)-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)pyrazole-4-carboxamide has a molecular weight of 382.47 g/mol, XLogP of 3.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(naphthalen-1-ylmethyl)-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 24898600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).