N-[2-(1-methylpyrazol-3-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide

C16H20N4O — CID 106105105

IUPACN-[2-(1-methylpyrazol-3-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
SMILESCn1ccc(CCNC(=O)c2ccc3c(c2)CNCC3)n1
InChIInChI=1S/C16H20N4O/c1-20-9-6-15(19-20)5-8-18-16(21)13-3-2-12-4-7-17-11-14(12)10-13/h2-3,6,9-10,17H,4-5,7-8,11H2,1H3,(H,18,21)
InChIKeyKOVVDCJPCSWSNN-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.04
Rot. Bonds4

About N-[2-(1-methylpyrazol-3-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide

N-[2-(1-methylpyrazol-3-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide (PubChem CID 106105105) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N-[2-(1-methylpyrazol-3-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide.

Molecular Properties

Compound NameN-[2-(1-methylpyrazol-3-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
PubChem CID106105105
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN-[2-(1-methylpyrazol-3-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
SMILESCn1ccc(CCNC(=O)c2ccc3c(c2)CNCC3)n1
InChIInChI=1S/C16H20N4O/c1-20-9-6-15(19-20)5-8-18-16(21)13-3-2-12-4-7-17-11-14(12)10-13/h2-3,6,9-10,17H,4-5,7-8,11H2,1H3,(H,18,21)
InChIKeyKOVVDCJPCSWSNN-UHFFFAOYSA-N
XLogP1.04
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-methylpyrazol-3-yl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanone
CID 116609303
4-cyano-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide
CID 104627123
N-[2-(1-methylpyrazol-3-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 113434600
3-amino-4-ethoxy-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide
CID 106103818
N-[2-(5-bromothiophen-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
CID 105055798
N-(4-hydroxy-2,2-dimethylbutyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
CID 106148075
5-amino-N-[2-(1-methylpyrazol-3-yl)ethyl]-1H-pyrazole-4-carboxamide
CID 106106156
2-ethyl-6-(methylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-4-carboxamide
CID 106106349
N-(pyridin-2-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
CID 79015224
N-[3-(dimethylamino)propyl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide
CID 110489069
N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 80683251
N-[2-(azepan-1-yl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998667

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylpyrazol-3-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide?
The IUPAC name of N-[2-(1-methylpyrazol-3-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide (CID 106105105) is N-[2-(1-methylpyrazol-3-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide.
What is the SMILES notation for N-[2-(1-methylpyrazol-3-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide?
The canonical SMILES for N-[2-(1-methylpyrazol-3-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide is Cn1ccc(CCNC(=O)c2ccc3c(c2)CNCC3)n1.
What is the InChIKey of N-[2-(1-methylpyrazol-3-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide?
The InChIKey is KOVVDCJPCSWSNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-20-9-6-15(19-20)5-8-18-16(21)13-3-2-12-4-7-17-11-14(12)10-13/h2-3,6,9-10,17H,4-5,7-8,11H2,1H3,(H,18,21).
What are the key properties of N-[2-(1-methylpyrazol-3-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide?
N-[2-(1-methylpyrazol-3-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylpyrazol-3-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide is sourced from PubChem (CID 106105105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).