N-(2-benzyl-3,4-dihydropyrazol-4-yl)-1,2,3,4-tetrahydroisoquinoline-6-carboxamide

C20H22N4O — CID 71089168

IUPACN-(2-benzyl-3,4-dihydropyrazol-4-yl)-1,2,3,4-tetrahydroisoquinoline-6-carboxamide
SMILESO=C(NC1C=NN(Cc2ccccc2)C1)c1ccc2c(c1)CCNC2
InChIInChI=1S/C20H22N4O/c25-20(17-6-7-18-11-21-9-8-16(18)10-17)23-19-12-22-24(14-19)13-15-4-2-1-3-5-15/h1-7,10,12,19,21H,8-9,11,13-14H2,(H,23,25)
InChIKeyUIOSYXBDXIKTKX-UHFFFAOYSA-N
MW334.42 g/mol
LogP1.93
Rot. Bonds4

About N-(2-benzyl-3,4-dihydropyrazol-4-yl)-1,2,3,4-tetrahydroisoquinoline-6-carboxamide

N-(2-benzyl-3,4-dihydropyrazol-4-yl)-1,2,3,4-tetrahydroisoquinoline-6-carboxamide (PubChem CID 71089168) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is N-(2-benzyl-3,4-dihydropyrazol-4-yl)-1,2,3,4-tetrahydroisoquinoline-6-carboxamide.

Molecular Properties

Compound NameN-(2-benzyl-3,4-dihydropyrazol-4-yl)-1,2,3,4-tetrahydroisoquinoline-6-carboxamide
PubChem CID71089168
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC NameN-(2-benzyl-3,4-dihydropyrazol-4-yl)-1,2,3,4-tetrahydroisoquinoline-6-carboxamide
SMILESO=C(NC1C=NN(Cc2ccccc2)C1)c1ccc2c(c1)CCNC2
InChIInChI=1S/C20H22N4O/c25-20(17-6-7-18-11-21-9-8-16(18)10-17)23-19-12-22-24(14-19)13-15-4-2-1-3-5-15/h1-7,10,12,19,21H,8-9,11,13-14H2,(H,23,25)
InChIKeyUIOSYXBDXIKTKX-UHFFFAOYSA-N
XLogP1.93
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-benzyl-3,4-dihydropyrazol-4-yl)-1,2,3,4-tetrahydroisoquinoline-6-carboxamide?
The IUPAC name of N-(2-benzyl-3,4-dihydropyrazol-4-yl)-1,2,3,4-tetrahydroisoquinoline-6-carboxamide (CID 71089168) is N-(2-benzyl-3,4-dihydropyrazol-4-yl)-1,2,3,4-tetrahydroisoquinoline-6-carboxamide.
What is the SMILES notation for N-(2-benzyl-3,4-dihydropyrazol-4-yl)-1,2,3,4-tetrahydroisoquinoline-6-carboxamide?
The canonical SMILES for N-(2-benzyl-3,4-dihydropyrazol-4-yl)-1,2,3,4-tetrahydroisoquinoline-6-carboxamide is O=C(NC1C=NN(Cc2ccccc2)C1)c1ccc2c(c1)CCNC2.
What is the InChIKey of N-(2-benzyl-3,4-dihydropyrazol-4-yl)-1,2,3,4-tetrahydroisoquinoline-6-carboxamide?
The InChIKey is UIOSYXBDXIKTKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c25-20(17-6-7-18-11-21-9-8-16(18)10-17)23-19-12-22-24(14-19)13-15-4-2-1-3-5-15/h1-7,10,12,19,21H,8-9,11,13-14H2,(H,23,25).
What are the key properties of N-(2-benzyl-3,4-dihydropyrazol-4-yl)-1,2,3,4-tetrahydroisoquinoline-6-carboxamide?
N-(2-benzyl-3,4-dihydropyrazol-4-yl)-1,2,3,4-tetrahydroisoquinoline-6-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzyl-3,4-dihydropyrazol-4-yl)-1,2,3,4-tetrahydroisoquinoline-6-carboxamide is sourced from PubChem (CID 71089168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).