1-[3-[3-(benzylamino)phenyl]pyrazol-1-yl]ethanone

C18H17N3O — CID 67457770

IUPAC1-[3-[3-(benzylamino)phenyl]pyrazol-1-yl]ethanone
SMILESCC(=O)n1ccc(-c2cccc(NCc3ccccc3)c2)n1
InChIInChI=1S/C18H17N3O/c1-14(22)21-11-10-18(20-21)16-8-5-9-17(12-16)19-13-15-6-3-2-4-7-15/h2-12,19H,13H2,1H3
InChIKeyAZQJNXRRVKHUBM-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.82
Rot. Bonds4

About 1-[3-[3-(benzylamino)phenyl]pyrazol-1-yl]ethanone

1-[3-[3-(benzylamino)phenyl]pyrazol-1-yl]ethanone (PubChem CID 67457770) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-[3-[3-(benzylamino)phenyl]pyrazol-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-[3-(benzylamino)phenyl]pyrazol-1-yl]ethanone
PubChem CID67457770
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC Name1-[3-[3-(benzylamino)phenyl]pyrazol-1-yl]ethanone
SMILESCC(=O)n1ccc(-c2cccc(NCc3ccccc3)c2)n1
InChIInChI=1S/C18H17N3O/c1-14(22)21-11-10-18(20-21)16-8-5-9-17(12-16)19-13-15-6-3-2-4-7-15/h2-12,19H,13H2,1H3
InChIKeyAZQJNXRRVKHUBM-UHFFFAOYSA-N
XLogP3.82
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(benzylamino)-3-pyridin-3-ylpyrazol-1-yl]ethanone
CID 67454284
2-anilino-N-[3-[5-(benzylamino)-3-pyridinyl]phenyl]acetamide
CID 166907955
3-(benzylamino)benzenethiol
CID 146183965
CID 163931246
CID 163931246
N-benzyl-3-(methoxymethyl)aniline
CID 43672166
2-[5-(benzylamino)-6-oxo-3-phenylpyridazin-1-yl]acetic acid
CID 10854253
3-(1H-imidazol-5-yl)-N-[(4-phenylphenyl)methyl]aniline
CID 6482257
2-[3-(pyridin-4-ylmethylamino)phenyl]phenol
CID 142075907
N-[3-[[6-(benzylamino)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112871603
acetic acid;3-[3-(benzylamino)phenyl]-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 20816995
3-(benzylamino)benzoic acid;3-(benzylamino)-N-propan-2-ylbenzamide
CID 158813508
N-[(4-methylphenyl)methyl]-3-(1-methyltetrazol-5-yl)aniline
CID 43687122

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(benzylamino)phenyl]pyrazol-1-yl]ethanone?
The IUPAC name of 1-[3-[3-(benzylamino)phenyl]pyrazol-1-yl]ethanone (CID 67457770) is 1-[3-[3-(benzylamino)phenyl]pyrazol-1-yl]ethanone.
What is the SMILES notation for 1-[3-[3-(benzylamino)phenyl]pyrazol-1-yl]ethanone?
The canonical SMILES for 1-[3-[3-(benzylamino)phenyl]pyrazol-1-yl]ethanone is CC(=O)n1ccc(-c2cccc(NCc3ccccc3)c2)n1.
What is the InChIKey of 1-[3-[3-(benzylamino)phenyl]pyrazol-1-yl]ethanone?
The InChIKey is AZQJNXRRVKHUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c1-14(22)21-11-10-18(20-21)16-8-5-9-17(12-16)19-13-15-6-3-2-4-7-15/h2-12,19H,13H2,1H3.
What are the key properties of 1-[3-[3-(benzylamino)phenyl]pyrazol-1-yl]ethanone?
1-[3-[3-(benzylamino)phenyl]pyrazol-1-yl]ethanone has a molecular weight of 291.35 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-(benzylamino)phenyl]pyrazol-1-yl]ethanone is sourced from PubChem (CID 67457770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).