N-(2,5-dimethylpyrazol-3-yl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide

C15H18N4O — CID 104557935

IUPACN-(2,5-dimethylpyrazol-3-yl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
SMILESCc1cc(NC(=O)c2cccc3c2CCNC3)n(C)n1
InChIInChI=1S/C15H18N4O/c1-10-8-14(19(2)18-10)17-15(20)13-5-3-4-11-9-16-7-6-12(11)13/h3-5,8,16H,6-7,9H2,1-2H3,(H,17,20)
InChIKeyFVDGIIHSCNASFF-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.63
Rot. Bonds2

About N-(2,5-dimethylpyrazol-3-yl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide

N-(2,5-dimethylpyrazol-3-yl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide (PubChem CID 104557935) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is N-(2,5-dimethylpyrazol-3-yl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylpyrazol-3-yl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
PubChem CID104557935
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC NameN-(2,5-dimethylpyrazol-3-yl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
SMILESCc1cc(NC(=O)c2cccc3c2CCNC3)n(C)n1
InChIInChI=1S/C15H18N4O/c1-10-8-14(19(2)18-10)17-15(20)13-5-3-4-11-9-16-7-6-12(11)13/h3-5,8,16H,6-7,9H2,1-2H3,(H,17,20)
InChIKeyFVDGIIHSCNASFF-UHFFFAOYSA-N
XLogP1.63
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104557960
N-(5-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104557961
N-(2-chloro-4-methyl-3-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558700
N-(2,5-dimethylpyrazol-3-yl)-2,3-dihydroxybenzamide
CID 114343847
N-(2,5-dimethylpyrazol-3-yl)-2,3-difluorobenzamide
CID 62650484
N-(2-chloro-4-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104557980
2-chloro-N-(2,5-dimethylpyrazol-3-yl)benzamide
CID 3741602
N-(2,6-difluorophenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104557984
N-pyridin-3-yl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104557847
N-tert-butyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 113426614
2-[(2,5-dimethylpyrazol-3-yl)carbamoyl]benzoate
CID 6930153
N-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558148

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide?
The IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide (CID 104557935) is N-(2,5-dimethylpyrazol-3-yl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide.
What is the SMILES notation for N-(2,5-dimethylpyrazol-3-yl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide?
The canonical SMILES for N-(2,5-dimethylpyrazol-3-yl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide is Cc1cc(NC(=O)c2cccc3c2CCNC3)n(C)n1.
What is the InChIKey of N-(2,5-dimethylpyrazol-3-yl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide?
The InChIKey is FVDGIIHSCNASFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-10-8-14(19(2)18-10)17-15(20)13-5-3-4-11-9-16-7-6-12(11)13/h3-5,8,16H,6-7,9H2,1-2H3,(H,17,20).
What are the key properties of N-(2,5-dimethylpyrazol-3-yl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide?
N-(2,5-dimethylpyrazol-3-yl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide has a molecular weight of 270.34 g/mol, XLogP of 1.63, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylpyrazol-3-yl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide is sourced from PubChem (CID 104557935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).