N-(1-benzylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide

C20H20N4O — CID 113224363

IUPACN-(1-benzylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
SMILESO=C(Nc1cnn(Cc2ccccc2)c1)c1ccc2c(c1)CCCN2
InChIInChI=1S/C20H20N4O/c25-20(17-8-9-19-16(11-17)7-4-10-21-19)23-18-12-22-24(14-18)13-15-5-2-1-3-6-15/h1-3,5-6,8-9,11-12,14,21H,4,7,10,13H2,(H,23,25)
InChIKeySWZJMIPPRLYYCN-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.54
Rot. Bonds4

About N-(1-benzylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide

N-(1-benzylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide (PubChem CID 113224363) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is N-(1-benzylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
PubChem CID113224363
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC NameN-(1-benzylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
SMILESO=C(Nc1cnn(Cc2ccccc2)c1)c1ccc2c(c1)CCCN2
InChIInChI=1S/C20H20N4O/c25-20(17-8-9-19-16(11-17)7-4-10-21-19)23-18-12-22-24(14-18)13-15-5-2-1-3-6-15/h1-3,5-6,8-9,11-12,14,21H,4,7,10,13H2,(H,23,25)
InChIKeySWZJMIPPRLYYCN-UHFFFAOYSA-N
XLogP3.54
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzylpyrazol-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 60552845
N-(1-benzylpyrazol-4-yl)-7,8-dihydronaphthalene-2-carboxamide
CID 100646183
N-(3-ethylphenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 43325644
N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide
CID 24898379
N-(1-benzylpyrazol-4-yl)-6-chloropyridine-3-carboxamide
CID 60526938
3,5-diacetamido-N-(1-benzylpyrazol-4-yl)benzamide
CID 60552582
N-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide
CID 86844636
N-(1-benzylpyrazol-4-yl)-1-ethylpyrazole-4-carboxamide
CID 19395795
N-(1-benzylpyrazol-4-yl)-4-chloro-3-nitrobenzamide
CID 19397600
1-N-(1-benzylpyrazol-4-yl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide
CID 166194202
N-[1-[(4-propan-2-ylphenyl)methyl]pyrazol-4-yl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide
CID 59192332
4-fluoro-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19338140

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide?
The IUPAC name of N-(1-benzylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide (CID 113224363) is N-(1-benzylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide.
What is the SMILES notation for N-(1-benzylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide?
The canonical SMILES for N-(1-benzylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide is O=C(Nc1cnn(Cc2ccccc2)c1)c1ccc2c(c1)CCCN2.
What is the InChIKey of N-(1-benzylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide?
The InChIKey is SWZJMIPPRLYYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c25-20(17-8-9-19-16(11-17)7-4-10-21-19)23-18-12-22-24(14-18)13-15-5-2-1-3-6-15/h1-3,5-6,8-9,11-12,14,21H,4,7,10,13H2,(H,23,25).
What are the key properties of N-(1-benzylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide?
N-(1-benzylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide has a molecular weight of 332.41 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide is sourced from PubChem (CID 113224363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).