1-[5-(benzylamino)-3-pyridin-3-ylpyrazol-1-yl]ethanone

C17H16N4O — CID 67454284

IUPAC1-[5-(benzylamino)-3-pyridin-3-ylpyrazol-1-yl]ethanone
SMILESCC(=O)n1nc(-c2cccnc2)cc1NCc1ccccc1
InChIInChI=1S/C17H16N4O/c1-13(22)21-17(19-11-14-6-3-2-4-7-14)10-16(20-21)15-8-5-9-18-12-15/h2-10,12,19H,11H2,1H3
InChIKeyLYAGMWSRMFLHHF-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.22
Rot. Bonds4

About 1-[5-(benzylamino)-3-pyridin-3-ylpyrazol-1-yl]ethanone

1-[5-(benzylamino)-3-pyridin-3-ylpyrazol-1-yl]ethanone (PubChem CID 67454284) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is 1-[5-(benzylamino)-3-pyridin-3-ylpyrazol-1-yl]ethanone.

Molecular Properties

Compound Name1-[5-(benzylamino)-3-pyridin-3-ylpyrazol-1-yl]ethanone
PubChem CID67454284
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Name1-[5-(benzylamino)-3-pyridin-3-ylpyrazol-1-yl]ethanone
SMILESCC(=O)n1nc(-c2cccnc2)cc1NCc1ccccc1
InChIInChI=1S/C17H16N4O/c1-13(22)21-17(19-11-14-6-3-2-4-7-14)10-16(20-21)15-8-5-9-18-12-15/h2-10,12,19H,11H2,1H3
InChIKeyLYAGMWSRMFLHHF-UHFFFAOYSA-N
XLogP3.22
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(benzylamino)-3-pyridin-3-ylpyrazol-1-yl]-[4-(dimethylamino)phenyl]methanone
CID 71253846
[5-[(4-methoxyphenyl)methylamino]-3-phenylpyrazol-1-yl]-phenylmethanone
CID 67450721
[5-(benzylamino)-3-pyridin-3-yl-1,2,4-triazol-1-yl]-pyridin-4-ylmethanone
CID 3922831
[5-(benzylamino)-3-pyridin-3-yl-1,2,4-triazol-1-yl]-(4-tert-butylphenyl)methanone
CID 3896976
N-[(4-methylphenyl)methyl]-5-phenyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 53045708
[5-(benzylamino)-3-pyridin-3-yl-1,2,4-triazol-1-yl]-(3-chlorophenyl)methanone
CID 3296582
3-[[(2-benzoyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)amino]methyl]benzonitrile
CID 67450258
2-[3-(3-methoxyphenyl)-5-(pyridin-3-ylmethylamino)pyrazol-1-yl]ethanol
CID 110924557
(2Z,4E)-2-amino-N-benzyl-5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]hepta-2,4,6-trienamide
CID 89354101
N-benzyl-5-(3,5-dimethylphenyl)-2-pyridin-3-ylbenzamide
CID 91363537
N-benzylpyridin-3-amine;dihydrochloride
CID 71432393
1-[5-(benzylamino)-3-pyridin-3-yl-1,2,4-triazol-1-yl]-3-(4-methoxyphenyl)prop-2-en-1-one
CID 3899033

Frequently Asked Questions

What is the IUPAC name of 1-[5-(benzylamino)-3-pyridin-3-ylpyrazol-1-yl]ethanone?
The IUPAC name of 1-[5-(benzylamino)-3-pyridin-3-ylpyrazol-1-yl]ethanone (CID 67454284) is 1-[5-(benzylamino)-3-pyridin-3-ylpyrazol-1-yl]ethanone.
What is the SMILES notation for 1-[5-(benzylamino)-3-pyridin-3-ylpyrazol-1-yl]ethanone?
The canonical SMILES for 1-[5-(benzylamino)-3-pyridin-3-ylpyrazol-1-yl]ethanone is CC(=O)n1nc(-c2cccnc2)cc1NCc1ccccc1.
What is the InChIKey of 1-[5-(benzylamino)-3-pyridin-3-ylpyrazol-1-yl]ethanone?
The InChIKey is LYAGMWSRMFLHHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c1-13(22)21-17(19-11-14-6-3-2-4-7-14)10-16(20-21)15-8-5-9-18-12-15/h2-10,12,19H,11H2,1H3.
What are the key properties of 1-[5-(benzylamino)-3-pyridin-3-ylpyrazol-1-yl]ethanone?
1-[5-(benzylamino)-3-pyridin-3-ylpyrazol-1-yl]ethanone has a molecular weight of 292.34 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(benzylamino)-3-pyridin-3-ylpyrazol-1-yl]ethanone is sourced from PubChem (CID 67454284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).