1-[5-[4-(dimethylamino)phenyl]-3-naphthalen-2-yliminopyrazolidin-1-yl]ethanone

C23H24N4O — CID 135402638

IUPAC1-[5-[4-(dimethylamino)phenyl]-3-naphthalen-2-yliminopyrazolidin-1-yl]ethanone
SMILESCC(=O)N1N/C(=N\c2ccc3ccccc3c2)CC1c1ccc(N(C)C)cc1
InChIInChI=1S/C23H24N4O/c1-16(28)27-22(18-9-12-21(13-10-18)26(2)3)15-23(25-27)24-20-11-8-17-6-4-5-7-19(17)14-20/h4-14,22H,15H2,1-3H3,(H,24,25)
InChIKeyHEDCGUTXZPXBKK-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.43
Rot. Bonds3

About 1-[5-[4-(dimethylamino)phenyl]-3-naphthalen-2-yliminopyrazolidin-1-yl]ethanone

1-[5-[4-(dimethylamino)phenyl]-3-naphthalen-2-yliminopyrazolidin-1-yl]ethanone (PubChem CID 135402638) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is 1-[5-[4-(dimethylamino)phenyl]-3-naphthalen-2-yliminopyrazolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[5-[4-(dimethylamino)phenyl]-3-naphthalen-2-yliminopyrazolidin-1-yl]ethanone
PubChem CID135402638
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name1-[5-[4-(dimethylamino)phenyl]-3-naphthalen-2-yliminopyrazolidin-1-yl]ethanone
SMILESCC(=O)N1N/C(=N\c2ccc3ccccc3c2)CC1c1ccc(N(C)C)cc1
InChIInChI=1S/C23H24N4O/c1-16(28)27-22(18-9-12-21(13-10-18)26(2)3)15-23(25-27)24-20-11-8-17-6-4-5-7-19(17)14-20/h4-14,22H,15H2,1-3H3,(H,24,25)
InChIKeyHEDCGUTXZPXBKK-UHFFFAOYSA-N
XLogP4.43
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-[5-(2-hydroperoxyphenyl)-3-naphthalen-2-yliminopyrazolidin-1-yl]ethanone
CID 135475273
3-[(Z)-[1-acetyl-5-(4-hydroxyphenyl)pyrazolidin-3-ylidene]amino]-2-methylquinazolin-4-one
CID 135440650
(3S)-3-[4-(dimethylamino)phenyl]-5-naphthalen-2-yl-3,4-dihydropyrazole-2-carbaldehyde
CID 765180
3-[(Z)-(1-acetyl-5-phenylpyrazolidin-3-ylidene)amino]-6-bromo-2-methylquinazolin-4-one
CID 135542554
2,2-bis[4-(dimethylamino)phenyl]-1-naphthalen-2-ylethanone
CID 102341898
1-[(3S)-3-[4-(dimethylamino)phenyl]-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone
CID 879557
N-[4-(dimethylamino)phenyl]naphthalene-2-carboximidoyl cyanide
CID 101125185
N,N-dimethyl-4-naphthalen-2-ylaniline
CID 46854357
4-(dimethylamino)-N-methyl-N-(naphthalen-2-ylmethyl)benzamide
CID 27848229
N-cyclopropyl-2-[methyl(naphthalen-2-yl)amino]propanamide
CID 78613802
N-methyl-N-naphthalen-2-ylnaphthalene-2-carboxamide
CID 26904267
N,N-dimethyl-4-[2-(4-naphthalen-2-yl-5-phenyldiazenyl-1,3-thiazol-2-yl)-5-phenyl-3,4-dihydropyrazol-3-yl]aniline
CID 16736473

Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-(dimethylamino)phenyl]-3-naphthalen-2-yliminopyrazolidin-1-yl]ethanone?
The IUPAC name of 1-[5-[4-(dimethylamino)phenyl]-3-naphthalen-2-yliminopyrazolidin-1-yl]ethanone (CID 135402638) is 1-[5-[4-(dimethylamino)phenyl]-3-naphthalen-2-yliminopyrazolidin-1-yl]ethanone.
What is the SMILES notation for 1-[5-[4-(dimethylamino)phenyl]-3-naphthalen-2-yliminopyrazolidin-1-yl]ethanone?
The canonical SMILES for 1-[5-[4-(dimethylamino)phenyl]-3-naphthalen-2-yliminopyrazolidin-1-yl]ethanone is CC(=O)N1N/C(=N\c2ccc3ccccc3c2)CC1c1ccc(N(C)C)cc1.
What is the InChIKey of 1-[5-[4-(dimethylamino)phenyl]-3-naphthalen-2-yliminopyrazolidin-1-yl]ethanone?
The InChIKey is HEDCGUTXZPXBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O/c1-16(28)27-22(18-9-12-21(13-10-18)26(2)3)15-23(25-27)24-20-11-8-17-6-4-5-7-19(17)14-20/h4-14,22H,15H2,1-3H3,(H,24,25).
What are the key properties of 1-[5-[4-(dimethylamino)phenyl]-3-naphthalen-2-yliminopyrazolidin-1-yl]ethanone?
1-[5-[4-(dimethylamino)phenyl]-3-naphthalen-2-yliminopyrazolidin-1-yl]ethanone has a molecular weight of 372.47 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-(dimethylamino)phenyl]-3-naphthalen-2-yliminopyrazolidin-1-yl]ethanone is sourced from PubChem (CID 135402638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).