[5-(benzylamino)-3-pyridin-3-ylpyrazol-1-yl]-[4-(dimethylamino)phenyl]methanone

C24H23N5O — CID 71253846

IUPAC[5-(benzylamino)-3-pyridin-3-ylpyrazol-1-yl]-[4-(dimethylamino)phenyl]methanone
SMILESCN(C)c1ccc(C(=O)n2nc(-c3cccnc3)cc2NCc2ccccc2)cc1
InChIInChI=1S/C24H23N5O/c1-28(2)21-12-10-19(11-13-21)24(30)29-23(26-16-18-7-4-3-5-8-18)15-22(27-29)20-9-6-14-25-17-20/h3-15,17,26H,16H2,1-2H3
InChIKeySFLUNOHBGACURV-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.31
Rot. Bonds6

About [5-(benzylamino)-3-pyridin-3-ylpyrazol-1-yl]-[4-(dimethylamino)phenyl]methanone

[5-(benzylamino)-3-pyridin-3-ylpyrazol-1-yl]-[4-(dimethylamino)phenyl]methanone (PubChem CID 71253846) has the molecular formula C24H23N5O and a molecular weight of 397.48 g/mol. Its IUPAC name is [5-(benzylamino)-3-pyridin-3-ylpyrazol-1-yl]-[4-(dimethylamino)phenyl]methanone.

Molecular Properties

Compound Name[5-(benzylamino)-3-pyridin-3-ylpyrazol-1-yl]-[4-(dimethylamino)phenyl]methanone
PubChem CID71253846
Molecular FormulaC24H23N5O
Molecular Weight397.48 g/mol
Exact Mass397.19
IUPAC Name[5-(benzylamino)-3-pyridin-3-ylpyrazol-1-yl]-[4-(dimethylamino)phenyl]methanone
SMILESCN(C)c1ccc(C(=O)n2nc(-c3cccnc3)cc2NCc2ccccc2)cc1
InChIInChI=1S/C24H23N5O/c1-28(2)21-12-10-19(11-13-21)24(30)29-23(26-16-18-7-4-3-5-8-18)15-22(27-29)20-9-6-14-25-17-20/h3-15,17,26H,16H2,1-2H3
InChIKeySFLUNOHBGACURV-UHFFFAOYSA-N
XLogP4.31
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [5-(benzylamino)-3-pyridin-3-ylpyrazol-1-yl]-[4-(dimethylamino)phenyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[5-(benzylamino)-3-pyridin-3-ylpyrazol-1-yl]ethanone
CID 67454284
[5-[[4-(dimethylamino)phenyl]methylamino]-3-phenyl-1,2,4-triazol-1-yl]-pyridin-3-ylmethanone
CID 2972353
[5-[(4-methoxyphenyl)methylamino]-3-phenylpyrazol-1-yl]-phenylmethanone
CID 67450721
[5-[[4-(dimethylamino)phenyl]methylamino]-3-phenyl-1,2,4-triazol-1-yl]-pyridin-4-ylmethanone
CID 3911196
[5-(benzylamino)-3-pyridin-3-yl-1,2,4-triazol-1-yl]-(4-tert-butylphenyl)methanone
CID 3896976
[5-(benzylamino)-3-pyridin-3-yl-1,2,4-triazol-1-yl]-pyridin-4-ylmethanone
CID 3922831
[5-[[4-(dimethylamino)phenyl]methylamino]-3-(4-methylphenyl)-1,2,4-triazol-1-yl]-pyridin-3-ylmethanone
CID 3975096
[5-(benzylamino)-3-(furan-2-yl)-1,2,4-triazol-1-yl]-[4-(dimethylamino)phenyl]methanone
CID 71253575
3-[[(2-benzoyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)amino]methyl]benzonitrile
CID 67450258
[5-(benzylamino)-3-pyridin-3-yl-1,2,4-triazol-1-yl]-(3-chlorophenyl)methanone
CID 3296582
[4-(dimethylamino)phenyl]-[4-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperazin-1-yl]methanone
CID 53087831
[5-[[4-(dimethylamino)phenyl]methylamino]-3-(4-methylphenyl)-1,2,4-triazol-1-yl]-(4-methylphenyl)methanone
CID 5126555

Frequently Asked Questions

What is the IUPAC name of [5-(benzylamino)-3-pyridin-3-ylpyrazol-1-yl]-[4-(dimethylamino)phenyl]methanone?
The IUPAC name of [5-(benzylamino)-3-pyridin-3-ylpyrazol-1-yl]-[4-(dimethylamino)phenyl]methanone (CID 71253846) is [5-(benzylamino)-3-pyridin-3-ylpyrazol-1-yl]-[4-(dimethylamino)phenyl]methanone.
What is the SMILES notation for [5-(benzylamino)-3-pyridin-3-ylpyrazol-1-yl]-[4-(dimethylamino)phenyl]methanone?
The canonical SMILES for [5-(benzylamino)-3-pyridin-3-ylpyrazol-1-yl]-[4-(dimethylamino)phenyl]methanone is CN(C)c1ccc(C(=O)n2nc(-c3cccnc3)cc2NCc2ccccc2)cc1.
What is the InChIKey of [5-(benzylamino)-3-pyridin-3-ylpyrazol-1-yl]-[4-(dimethylamino)phenyl]methanone?
The InChIKey is SFLUNOHBGACURV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O/c1-28(2)21-12-10-19(11-13-21)24(30)29-23(26-16-18-7-4-3-5-8-18)15-22(27-29)20-9-6-14-25-17-20/h3-15,17,26H,16H2,1-2H3.
What are the key properties of [5-(benzylamino)-3-pyridin-3-ylpyrazol-1-yl]-[4-(dimethylamino)phenyl]methanone?
[5-(benzylamino)-3-pyridin-3-ylpyrazol-1-yl]-[4-(dimethylamino)phenyl]methanone has a molecular weight of 397.48 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(benzylamino)-3-pyridin-3-ylpyrazol-1-yl]-[4-(dimethylamino)phenyl]methanone is sourced from PubChem (CID 71253846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).