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

C15H18N4O — CID 102805529

IUPACN-(1,3-dimethylpyrazol-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
SMILESCc1nn(C)cc1NC(=O)C1CNCc2ccccc21
InChIInChI=1S/C15H18N4O/c1-10-14(9-19(2)18-10)17-15(20)13-8-16-7-11-5-3-4-6-12(11)13/h3-6,9,13,16H,7-8H2,1-2H3,(H,17,20)
InChIKeyKPNAXKOMVBNMTR-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.55
Rot. Bonds2

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

N-(1,3-dimethylpyrazol-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide (PubChem CID 102805529) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is N-(1,3-dimethylpyrazol-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-dimethylpyrazol-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
PubChem CID102805529
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC NameN-(1,3-dimethylpyrazol-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
SMILESCc1nn(C)cc1NC(=O)C1CNCc2ccccc21
InChIInChI=1S/C15H18N4O/c1-10-14(9-19(2)18-10)17-15(20)13-8-16-7-11-5-3-4-6-12(11)13/h3-6,9,13,16H,7-8H2,1-2H3,(H,17,20)
InChIKeyKPNAXKOMVBNMTR-UHFFFAOYSA-N
XLogP1.55
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 ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethylpyrazol-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The IUPAC name of N-(1,3-dimethylpyrazol-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide (CID 102805529) is N-(1,3-dimethylpyrazol-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide.
What is the SMILES notation for N-(1,3-dimethylpyrazol-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The canonical SMILES for N-(1,3-dimethylpyrazol-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide is Cc1nn(C)cc1NC(=O)C1CNCc2ccccc21.
What is the InChIKey of N-(1,3-dimethylpyrazol-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The InChIKey is KPNAXKOMVBNMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-10-14(9-19(2)18-10)17-15(20)13-8-16-7-11-5-3-4-6-12(11)13/h3-6,9,13,16H,7-8H2,1-2H3,(H,17,20).
What are the key properties of N-(1,3-dimethylpyrazol-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
N-(1,3-dimethylpyrazol-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide has a molecular weight of 270.34 g/mol, XLogP of 1.55, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethylpyrazol-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide is sourced from PubChem (CID 102805529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).