N-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-8-carboxamide

C15H18N4O — CID 110489176

IUPACN-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-8-carboxamide
SMILESCn1cc(CNC(=O)c2cccc3c2CNCC3)cn1
InChIInChI=1S/C15H18N4O/c1-19-10-11(8-18-19)7-17-15(20)13-4-2-3-12-5-6-16-9-14(12)13/h2-4,8,10,16H,5-7,9H2,1H3,(H,17,20)
InChIKeyMZBGKLJSWALPEG-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.00
Rot. Bonds3

About N-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-8-carboxamide

N-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-8-carboxamide (PubChem CID 110489176) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is N-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-8-carboxamide.

Molecular Properties

Compound NameN-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-8-carboxamide
PubChem CID110489176
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC NameN-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-8-carboxamide
SMILESCn1cc(CNC(=O)c2cccc3c2CNCC3)cn1
InChIInChI=1S/C15H18N4O/c1-19-10-11(8-18-19)7-17-15(20)13-4-2-3-12-5-6-16-9-14(12)13/h2-4,8,10,16H,5-7,9H2,1H3,(H,17,20)
InChIKeyMZBGKLJSWALPEG-UHFFFAOYSA-N
XLogP1.00
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 62850085
2-(1-methylpyrazol-4-yl)-1-(1,2,3,4-tetrahydroisoquinolin-5-yl)ethanone
CID 116612581
N-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-8-carboxamide
CID 166299331
N-[(1-methylpyrazol-4-yl)methyl]-2-methylsulfanylbenzamide
CID 110483761
2-(4-chlorobenzoyl)-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 19292438
N-[(2-methylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558566
1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 19474553
2-amino-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide
CID 62185127
N-[(1-methylpyrazol-4-yl)methyl]-1H-pyrrole-2-carboxamide
CID 110461051
3-bromo-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 19292435
N-[(1-methylpyrazol-4-yl)methyl]pyridine-4-carboxamide
CID 35523459
N-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558148

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-8-carboxamide?
The IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-8-carboxamide (CID 110489176) is N-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-8-carboxamide.
What is the SMILES notation for N-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-8-carboxamide?
The canonical SMILES for N-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-8-carboxamide is Cn1cc(CNC(=O)c2cccc3c2CNCC3)cn1.
What is the InChIKey of N-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-8-carboxamide?
The InChIKey is MZBGKLJSWALPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-19-10-11(8-18-19)7-17-15(20)13-4-2-3-12-5-6-16-9-14(12)13/h2-4,8,10,16H,5-7,9H2,1H3,(H,17,20).
What are the key properties of N-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-8-carboxamide?
N-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-8-carboxamide has a molecular weight of 270.34 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-8-carboxamide is sourced from PubChem (CID 110489176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).