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

C14H16N4O — CID 65260797

IUPACN-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
SMILESCn1cc(NC(=O)C2CNCc3ccccc32)cn1
InChIInChI=1S/C14H16N4O/c1-18-9-11(7-16-18)17-14(19)13-8-15-6-10-4-2-3-5-12(10)13/h2-5,7,9,13,15H,6,8H2,1H3,(H,17,19)
InChIKeyUCRZTVQSFFQGPZ-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.25
Rot. Bonds2

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

N-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide (PubChem CID 65260797) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is N-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
PubChem CID65260797
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC NameN-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
SMILESCn1cc(NC(=O)C2CNCc3ccccc32)cn1
InChIInChI=1S/C14H16N4O/c1-18-9-11(7-16-18)17-14(19)13-8-15-6-10-4-2-3-5-12(10)13/h2-5,7,9,13,15H,6,8H2,1H3,(H,17,19)
InChIKeyUCRZTVQSFFQGPZ-UHFFFAOYSA-N
XLogP1.25
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1-methylpyrazol-4-yl)-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone
CID 116573312
N-(1,3-dimethylpyrazol-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 102805529
N-(1-methylpyrazol-3-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260753
N-(4-hydroxyphenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260610
N-(3,4-dimethylphenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260503
N-(4-cyanophenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260692
N-(3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65261026
N-(1,3-benzodioxol-5-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 82584264
N-(thiadiazol-5-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 114912361
N-(1-phenyltriazol-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 167874848
(1-methylpyrazol-3-yl)-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone
CID 103133164
N-(1H-imidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65262068

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The IUPAC name of N-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide (CID 65260797) is N-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide.
What is the SMILES notation for N-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The canonical SMILES for N-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide is Cn1cc(NC(=O)C2CNCc3ccccc32)cn1.
What is the InChIKey of N-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The InChIKey is UCRZTVQSFFQGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-18-9-11(7-16-18)17-14(19)13-8-15-6-10-4-2-3-5-12(10)13/h2-5,7,9,13,15H,6,8H2,1H3,(H,17,19).
What are the key properties of N-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
N-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide has a molecular weight of 256.31 g/mol, XLogP of 1.25, 2 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)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide is sourced from PubChem (CID 65260797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).