2-phenyl-N-(2-quinolin-2-ylethyl)pyrazole-3-carboxamide

C21H18N4O — CID 166219392

IUPAC2-phenyl-N-(2-quinolin-2-ylethyl)pyrazole-3-carboxamide
SMILESO=C(NCCc1ccc2ccccc2n1)c1ccnn1-c1ccccc1
InChIInChI=1S/C21H18N4O/c26-21(20-13-15-23-25(20)18-7-2-1-3-8-18)22-14-12-17-11-10-16-6-4-5-9-19(16)24-17/h1-11,13,15H,12,14H2,(H,22,26)
InChIKeyKBMWLZXYMZPUDH-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.39
Rot. Bonds5

About 2-phenyl-N-(2-quinolin-2-ylethyl)pyrazole-3-carboxamide

2-phenyl-N-(2-quinolin-2-ylethyl)pyrazole-3-carboxamide (PubChem CID 166219392) has the molecular formula C21H18N4O and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-phenyl-N-(2-quinolin-2-ylethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-phenyl-N-(2-quinolin-2-ylethyl)pyrazole-3-carboxamide
PubChem CID166219392
Molecular FormulaC21H18N4O
Molecular Weight342.40 g/mol
Exact Mass342.15
IUPAC Name2-phenyl-N-(2-quinolin-2-ylethyl)pyrazole-3-carboxamide
SMILESO=C(NCCc1ccc2ccccc2n1)c1ccnn1-c1ccccc1
InChIInChI=1S/C21H18N4O/c26-21(20-13-15-23-25(20)18-7-2-1-3-8-18)22-14-12-17-11-10-16-6-4-5-9-19(16)24-17/h1-11,13,15H,12,14H2,(H,22,26)
InChIKeyKBMWLZXYMZPUDH-UHFFFAOYSA-N
XLogP3.39
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-naphthalen-2-yl-N-(2-quinolin-2-ylethyl)acetamide
CID 71940496
2-methylsulfonyl-N-(2-quinolin-2-ylethyl)propanamide
CID 71938888
N-(2-pyrazol-1-ylethyl)-2-quinolin-2-ylacetamide
CID 110473747
N-(2-quinolin-2-ylethyl)-3-(trifluoromethyl)benzamide
CID 172890631
N-[2-(4-pyrazol-1-ylphenyl)ethyl]quinoline-2-carboxamide
CID 41412655
7-fluoro-2-methyl-N-(2-quinolin-2-ylethyl)quinoline-3-carboxamide
CID 71940493
N-(2-aminoethyl)-2-quinolin-2-ylacetamide
CID 110464134
(2-phenylpyrazol-3-yl)-pyridin-2-ylmethanone
CID 107330077
5-methyl-1-phenyl-N-quinolin-2-ylpyrazole-4-carboxamide
CID 137375534
2-(tert-butylamino)-1-(2-phenylpyrazol-3-yl)ethanone
CID 107331688
2-quinolin-2-ylacetic acid;hydrate
CID 141421012
N-[3-(quinoline-2-carbonylamino)propyl]quinoline-2-carboxamide
CID 11603405

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(2-quinolin-2-ylethyl)pyrazole-3-carboxamide?
The IUPAC name of 2-phenyl-N-(2-quinolin-2-ylethyl)pyrazole-3-carboxamide (CID 166219392) is 2-phenyl-N-(2-quinolin-2-ylethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 2-phenyl-N-(2-quinolin-2-ylethyl)pyrazole-3-carboxamide?
The canonical SMILES for 2-phenyl-N-(2-quinolin-2-ylethyl)pyrazole-3-carboxamide is O=C(NCCc1ccc2ccccc2n1)c1ccnn1-c1ccccc1.
What is the InChIKey of 2-phenyl-N-(2-quinolin-2-ylethyl)pyrazole-3-carboxamide?
The InChIKey is KBMWLZXYMZPUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O/c26-21(20-13-15-23-25(20)18-7-2-1-3-8-18)22-14-12-17-11-10-16-6-4-5-9-19(16)24-17/h1-11,13,15H,12,14H2,(H,22,26).
What are the key properties of 2-phenyl-N-(2-quinolin-2-ylethyl)pyrazole-3-carboxamide?
2-phenyl-N-(2-quinolin-2-ylethyl)pyrazole-3-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(2-quinolin-2-ylethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 166219392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).