N-(5-ethyl-1H-pyrazol-3-yl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamide

C15H18N4O — CID 104617918

IUPACN-(5-ethyl-1H-pyrazol-3-yl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
SMILESCCc1cc(NC(=O)C2NCCc3ccccc32)n[nH]1
InChIInChI=1S/C15H18N4O/c1-2-11-9-13(19-18-11)17-15(20)14-12-6-4-3-5-10(12)7-8-16-14/h3-6,9,14,16H,2,7-8H2,1H3,(H2,17,18,19,20)
InChIKeyWOZNGCYOCMPUJC-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.80
Rot. Bonds3

About N-(5-ethyl-1H-pyrazol-3-yl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamide

N-(5-ethyl-1H-pyrazol-3-yl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamide (PubChem CID 104617918) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is N-(5-ethyl-1H-pyrazol-3-yl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamide.

Molecular Properties

Compound NameN-(5-ethyl-1H-pyrazol-3-yl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
PubChem CID104617918
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC NameN-(5-ethyl-1H-pyrazol-3-yl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
SMILESCCc1cc(NC(=O)C2NCCc3ccccc32)n[nH]1
InChIInChI=1S/C15H18N4O/c1-2-11-9-13(19-18-11)17-15(20)14-12-6-4-3-5-10(12)7-8-16-14/h3-6,9,14,16H,2,7-8H2,1H3,(H2,17,18,19,20)
InChIKeyWOZNGCYOCMPUJC-UHFFFAOYSA-N
XLogP1.80
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4,6-dimethyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
CID 114932225
N-phenyl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide;hydrochloride
CID 23333350
N-(5-ethyl-1H-pyrazol-3-yl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901710
N-(3-hydroxy-4-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
CID 107701348
N-(5-ethyl-1H-pyrazol-3-yl)cyclopent-3-ene-1-carboxamide
CID 115644958
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
CID 103815072
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
CID 107852864
N-(5-ethyl-1H-pyrazol-3-yl)piperidine-2-carboxamide
CID 104617951
N-(3-bromo-5-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
CID 107583487
2-(4-ethylphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethanone
CID 116561998
N-(5-ethyl-1H-pyrazol-3-yl)thiomorpholine-3-carboxamide
CID 104618060
N-(5-ethyl-1H-pyrazol-3-yl)-4-methylcyclohexane-1-carboxamide
CID 113245552

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1H-pyrazol-3-yl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamide?
The IUPAC name of N-(5-ethyl-1H-pyrazol-3-yl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamide (CID 104617918) is N-(5-ethyl-1H-pyrazol-3-yl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamide.
What is the SMILES notation for N-(5-ethyl-1H-pyrazol-3-yl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamide?
The canonical SMILES for N-(5-ethyl-1H-pyrazol-3-yl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamide is CCc1cc(NC(=O)C2NCCc3ccccc32)n[nH]1.
What is the InChIKey of N-(5-ethyl-1H-pyrazol-3-yl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamide?
The InChIKey is WOZNGCYOCMPUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-2-11-9-13(19-18-11)17-15(20)14-12-6-4-3-5-10(12)7-8-16-14/h3-6,9,14,16H,2,7-8H2,1H3,(H2,17,18,19,20).
What are the key properties of N-(5-ethyl-1H-pyrazol-3-yl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamide?
N-(5-ethyl-1H-pyrazol-3-yl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamide has a molecular weight of 270.34 g/mol, XLogP of 1.80, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1H-pyrazol-3-yl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamide is sourced from PubChem (CID 104617918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).