N-(2-benzylpyrazol-3-yl)quinoline-2-carboxamide

C20H16N4O — CID 9118345

IUPACN-(2-benzylpyrazol-3-yl)quinoline-2-carboxamide
SMILESO=C(Nc1ccnn1Cc1ccccc1)c1ccc2ccccc2n1
InChIInChI=1S/C20H16N4O/c25-20(18-11-10-16-8-4-5-9-17(16)22-18)23-19-12-13-21-24(19)14-15-6-2-1-3-7-15/h1-13H,14H2,(H,23,25)
InChIKeyWBGFGAHZPSVHRD-UHFFFAOYSA-N
MW328.38 g/mol
LogP3.73
Rot. Bonds4

About N-(2-benzylpyrazol-3-yl)quinoline-2-carboxamide

N-(2-benzylpyrazol-3-yl)quinoline-2-carboxamide (PubChem CID 9118345) has the molecular formula C20H16N4O and a molecular weight of 328.38 g/mol. Its IUPAC name is N-(2-benzylpyrazol-3-yl)quinoline-2-carboxamide.

Molecular Properties

Compound NameN-(2-benzylpyrazol-3-yl)quinoline-2-carboxamide
PubChem CID9118345
Molecular FormulaC20H16N4O
Molecular Weight328.38 g/mol
Exact Mass328.13
IUPAC NameN-(2-benzylpyrazol-3-yl)quinoline-2-carboxamide
SMILESO=C(Nc1ccnn1Cc1ccccc1)c1ccc2ccccc2n1
InChIInChI=1S/C20H16N4O/c25-20(18-11-10-16-8-4-5-9-17(16)22-18)23-19-12-13-21-24(19)14-15-6-2-1-3-7-15/h1-13H,14H2,(H,23,25)
InChIKeyWBGFGAHZPSVHRD-UHFFFAOYSA-N
XLogP3.73
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-benzylpyrazol-3-yl)-3,4-dichlorobenzamide
CID 7589760
N-(2-benzylpyrazol-3-yl)-4-iodobenzamide
CID 55359598
N-(2-benzylpyrazol-3-yl)-2-iodobenzamide
CID 55359617
N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]quinoxaline-2-carboxamide
CID 46451511
N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]naphthalene-2-carboxamide
CID 26725865
(E)-N-(2-benzylpyrazol-3-yl)-3-phenylprop-2-enamide
CID 7589756
N-phenylmethoxyquinoline-2-carboxamide
CID 9227229
N-(2-benzylpyrazol-3-yl)-2-(1-oxophthalazin-2-yl)acetamide
CID 55574993
N-(2-benzylpyrazol-3-yl)-2-phenoxypyridine-3-carboxamide
CID 8890850
N-(2-chlorophenyl)quinoline-2-carboxamide
CID 878226
N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-phenylacetamide
CID 24525234
3-chloro-N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 17464648

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylpyrazol-3-yl)quinoline-2-carboxamide?
The IUPAC name of N-(2-benzylpyrazol-3-yl)quinoline-2-carboxamide (CID 9118345) is N-(2-benzylpyrazol-3-yl)quinoline-2-carboxamide.
What is the SMILES notation for N-(2-benzylpyrazol-3-yl)quinoline-2-carboxamide?
The canonical SMILES for N-(2-benzylpyrazol-3-yl)quinoline-2-carboxamide is O=C(Nc1ccnn1Cc1ccccc1)c1ccc2ccccc2n1.
What is the InChIKey of N-(2-benzylpyrazol-3-yl)quinoline-2-carboxamide?
The InChIKey is WBGFGAHZPSVHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O/c25-20(18-11-10-16-8-4-5-9-17(16)22-18)23-19-12-13-21-24(19)14-15-6-2-1-3-7-15/h1-13H,14H2,(H,23,25).
What are the key properties of N-(2-benzylpyrazol-3-yl)quinoline-2-carboxamide?
N-(2-benzylpyrazol-3-yl)quinoline-2-carboxamide has a molecular weight of 328.38 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylpyrazol-3-yl)quinoline-2-carboxamide is sourced from PubChem (CID 9118345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).