N-(1-benzylpyrazol-4-yl)-7,8-dihydronaphthalene-2-carboxamide

C21H19N3O — CID 100646183

IUPACN-(1-benzylpyrazol-4-yl)-7,8-dihydronaphthalene-2-carboxamide
SMILESO=C(Nc1cnn(Cc2ccccc2)c1)c1ccc2c(c1)CCC=C2
InChIInChI=1S/C21H19N3O/c25-21(19-11-10-17-8-4-5-9-18(17)12-19)23-20-13-22-24(15-20)14-16-6-2-1-3-7-16/h1-4,6-8,10-13,15H,5,9,14H2,(H,23,25)
InChIKeyXNBMTWFESVKDFN-UHFFFAOYSA-N
MW329.40 g/mol
LogP4.14
Rot. Bonds4

About N-(1-benzylpyrazol-4-yl)-7,8-dihydronaphthalene-2-carboxamide

N-(1-benzylpyrazol-4-yl)-7,8-dihydronaphthalene-2-carboxamide (PubChem CID 100646183) has the molecular formula C21H19N3O and a molecular weight of 329.40 g/mol. Its IUPAC name is N-(1-benzylpyrazol-4-yl)-7,8-dihydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpyrazol-4-yl)-7,8-dihydronaphthalene-2-carboxamide
PubChem CID100646183
Molecular FormulaC21H19N3O
Molecular Weight329.40 g/mol
Exact Mass329.15
IUPAC NameN-(1-benzylpyrazol-4-yl)-7,8-dihydronaphthalene-2-carboxamide
SMILESO=C(Nc1cnn(Cc2ccccc2)c1)c1ccc2c(c1)CCC=C2
InChIInChI=1S/C21H19N3O/c25-21(19-11-10-17-8-4-5-9-18(17)12-19)23-20-13-22-24(15-20)14-16-6-2-1-3-7-16/h1-4,6-8,10-13,15H,5,9,14H2,(H,23,25)
InChIKeyXNBMTWFESVKDFN-UHFFFAOYSA-N
XLogP4.14
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 113224363
N-(1-benzylpyrazol-4-yl)-6-chloropyridine-3-carboxamide
CID 60526938
3,5-diacetamido-N-(1-benzylpyrazol-4-yl)benzamide
CID 60552582
4-(benzenesulfonylmethyl)-N-(1-benzylpyrazol-4-yl)benzamide
CID 55948742
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-benzylpyrazol-4-yl)-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide
CID 86844636
N-(1-benzylpyrazol-4-yl)-4-(cyclopropylamino)-3-nitrobenzamide
CID 60552891
N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide
CID 24898379
3-(2-amino-2-oxoethoxy)-N-(1-benzylpyrazol-4-yl)benzamide
CID 134699731

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrazol-4-yl)-7,8-dihydronaphthalene-2-carboxamide?
The IUPAC name of N-(1-benzylpyrazol-4-yl)-7,8-dihydronaphthalene-2-carboxamide (CID 100646183) is N-(1-benzylpyrazol-4-yl)-7,8-dihydronaphthalene-2-carboxamide.
What is the SMILES notation for N-(1-benzylpyrazol-4-yl)-7,8-dihydronaphthalene-2-carboxamide?
The canonical SMILES for N-(1-benzylpyrazol-4-yl)-7,8-dihydronaphthalene-2-carboxamide is O=C(Nc1cnn(Cc2ccccc2)c1)c1ccc2c(c1)CCC=C2.
What is the InChIKey of N-(1-benzylpyrazol-4-yl)-7,8-dihydronaphthalene-2-carboxamide?
The InChIKey is XNBMTWFESVKDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O/c25-21(19-11-10-17-8-4-5-9-18(17)12-19)23-20-13-22-24(15-20)14-16-6-2-1-3-7-16/h1-4,6-8,10-13,15H,5,9,14H2,(H,23,25).
What are the key properties of N-(1-benzylpyrazol-4-yl)-7,8-dihydronaphthalene-2-carboxamide?
N-(1-benzylpyrazol-4-yl)-7,8-dihydronaphthalene-2-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrazol-4-yl)-7,8-dihydronaphthalene-2-carboxamide is sourced from PubChem (CID 100646183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).