N-[3-[benzyl(butyl)amino]propyl]-5-methyl-2-phenylpyrazole-3-carboxamide

C25H32N4O — CID 20861310

IUPACN-[3-[benzyl(butyl)amino]propyl]-5-methyl-2-phenylpyrazole-3-carboxamide
SMILESCCCCN(CCCNC(=O)c1cc(C)nn1-c1ccccc1)Cc1ccccc1
InChIInChI=1S/C25H32N4O/c1-3-4-17-28(20-22-12-7-5-8-13-22)18-11-16-26-25(30)24-19-21(2)27-29(24)23-14-9-6-10-15-23/h5-10,12-15,19H,3-4,11,16-18,20H2,1-2H3,(H,26,30)
InChIKeyRDPFARKSOUINEU-UHFFFAOYSA-N
MW404.56 g/mol
LogP4.60
Rot. Bonds11

About N-[3-[benzyl(butyl)amino]propyl]-5-methyl-2-phenylpyrazole-3-carboxamide

N-[3-[benzyl(butyl)amino]propyl]-5-methyl-2-phenylpyrazole-3-carboxamide (PubChem CID 20861310) has the molecular formula C25H32N4O and a molecular weight of 404.56 g/mol. Its IUPAC name is N-[3-[benzyl(butyl)amino]propyl]-5-methyl-2-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-[benzyl(butyl)amino]propyl]-5-methyl-2-phenylpyrazole-3-carboxamide
PubChem CID20861310
Molecular FormulaC25H32N4O
Molecular Weight404.56 g/mol
Exact Mass404.26
IUPAC NameN-[3-[benzyl(butyl)amino]propyl]-5-methyl-2-phenylpyrazole-3-carboxamide
SMILESCCCCN(CCCNC(=O)c1cc(C)nn1-c1ccccc1)Cc1ccccc1
InChIInChI=1S/C25H32N4O/c1-3-4-17-28(20-22-12-7-5-8-13-22)18-11-16-26-25(30)24-19-21(2)27-29(24)23-14-9-6-10-15-23/h5-10,12-15,19H,3-4,11,16-18,20H2,1-2H3,(H,26,30)
InChIKeyRDPFARKSOUINEU-UHFFFAOYSA-N
XLogP4.60
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.56
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-methyl-2-phenyl-N-(3-phenylpropyl)pyrazole-3-carboxamide
CID 20861279
N-[2-(diethylamino)ethyl]-5-methyl-2-phenylpyrazole-3-carboxamide
CID 20861285
N-(3-ethoxypropyl)-5-methyl-2-phenylpyrazole-3-carboxamide
CID 5309119
N-butyl-3-(3,4-dimethylphenyl)-1-phenylpyrazole-5-carboxamide
CID 4005043
3-(3,4-dimethylphenyl)-N-pentyl-1-phenylpyrazole-5-carboxamide
CID 4274555
N-[2-(2-fluorophenyl)ethyl]-5-methyl-2-phenylpyrazole-3-carboxamide
CID 110685957
1-(4-methylphenyl)-N-pentyl-3-phenylpyrazole-5-carboxamide
CID 42754567
N-[3-(dimethylamino)propyl]-1-phenyl-3-propan-2-ylpyrazole-5-carboxamide
CID 91641257
3-(3,4-dimethylphenyl)-1-phenyl-N-propylpyrazole-5-carboxamide
CID 42754882
3-(2-fluorophenyl)-N-pentyl-1-phenylpyrazole-5-carboxamide
CID 4218340
3-(5-methylfuran-2-yl)-N-pentyl-1-phenylpyrazole-5-carboxamide
CID 42759443
N-[3-[benzyl(butyl)amino]propyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 20968334

Frequently Asked Questions

What is the IUPAC name of N-[3-[benzyl(butyl)amino]propyl]-5-methyl-2-phenylpyrazole-3-carboxamide?
The IUPAC name of N-[3-[benzyl(butyl)amino]propyl]-5-methyl-2-phenylpyrazole-3-carboxamide (CID 20861310) is N-[3-[benzyl(butyl)amino]propyl]-5-methyl-2-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-[3-[benzyl(butyl)amino]propyl]-5-methyl-2-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-[3-[benzyl(butyl)amino]propyl]-5-methyl-2-phenylpyrazole-3-carboxamide is CCCCN(CCCNC(=O)c1cc(C)nn1-c1ccccc1)Cc1ccccc1.
What is the InChIKey of N-[3-[benzyl(butyl)amino]propyl]-5-methyl-2-phenylpyrazole-3-carboxamide?
The InChIKey is RDPFARKSOUINEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O/c1-3-4-17-28(20-22-12-7-5-8-13-22)18-11-16-26-25(30)24-19-21(2)27-29(24)23-14-9-6-10-15-23/h5-10,12-15,19H,3-4,11,16-18,20H2,1-2H3,(H,26,30).
What are the key properties of N-[3-[benzyl(butyl)amino]propyl]-5-methyl-2-phenylpyrazole-3-carboxamide?
N-[3-[benzyl(butyl)amino]propyl]-5-methyl-2-phenylpyrazole-3-carboxamide has a molecular weight of 404.56 g/mol, XLogP of 4.60, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[benzyl(butyl)amino]propyl]-5-methyl-2-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 20861310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).