3-ethyl-1-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrazole-5-carboxamide

C16H20N4O — CID 66121931

IUPAC3-ethyl-1-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrazole-5-carboxamide
SMILESCCc1cc(C(=O)Nc2ccc3c(c2)CNCC3)n(C)n1
InChIInChI=1S/C16H20N4O/c1-3-13-9-15(20(2)19-13)16(21)18-14-5-4-11-6-7-17-10-12(11)8-14/h4-5,8-9,17H,3,6-7,10H2,1-2H3,(H,18,21)
InChIKeyJQDDIPZLMZWHIH-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.88
Rot. Bonds3

About 3-ethyl-1-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrazole-5-carboxamide

3-ethyl-1-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrazole-5-carboxamide (PubChem CID 66121931) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-ethyl-1-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-ethyl-1-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrazole-5-carboxamide
PubChem CID66121931
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name3-ethyl-1-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrazole-5-carboxamide
SMILESCCc1cc(C(=O)Nc2ccc3c(c2)CNCC3)n(C)n1
InChIInChI=1S/C16H20N4O/c1-3-13-9-15(20(2)19-13)16(21)18-14-5-4-11-6-7-17-10-12(11)8-14/h4-5,8-9,17H,3,6-7,10H2,1-2H3,(H,18,21)
InChIKeyJQDDIPZLMZWHIH-UHFFFAOYSA-N
XLogP1.88
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrazole-5-carboxamide?
The IUPAC name of 3-ethyl-1-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrazole-5-carboxamide (CID 66121931) is 3-ethyl-1-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrazole-5-carboxamide.
What is the SMILES notation for 3-ethyl-1-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrazole-5-carboxamide?
The canonical SMILES for 3-ethyl-1-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrazole-5-carboxamide is CCc1cc(C(=O)Nc2ccc3c(c2)CNCC3)n(C)n1.
What is the InChIKey of 3-ethyl-1-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrazole-5-carboxamide?
The InChIKey is JQDDIPZLMZWHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-3-13-9-15(20(2)19-13)16(21)18-14-5-4-11-6-7-17-10-12(11)8-14/h4-5,8-9,17H,3,6-7,10H2,1-2H3,(H,18,21).
What are the key properties of 3-ethyl-1-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrazole-5-carboxamide?
3-ethyl-1-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrazole-5-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 66121931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).