4-(3,5-dimethyl-4-propylpyrazol-1-yl)-N-[3-(N-methylanilino)propyl]benzamide

C25H32N4O — CID 44762148

IUPAC4-(3,5-dimethyl-4-propylpyrazol-1-yl)-N-[3-(N-methylanilino)propyl]benzamide
SMILESCCCc1c(C)nn(-c2ccc(C(=O)NCCCN(C)c3ccccc3)cc2)c1C
InChIInChI=1S/C25H32N4O/c1-5-10-24-19(2)27-29(20(24)3)23-15-13-21(14-16-23)25(30)26-17-9-18-28(4)22-11-7-6-8-12-22/h6-8,11-16H,5,9-10,17-18H2,1-4H3,(H,26,30)
InChIKeyJRUQDJGTUXYBNY-UHFFFAOYSA-N
MW404.56 g/mol
LogP4.70
Rot. Bonds9

About 4-(3,5-dimethyl-4-propylpyrazol-1-yl)-N-[3-(N-methylanilino)propyl]benzamide

4-(3,5-dimethyl-4-propylpyrazol-1-yl)-N-[3-(N-methylanilino)propyl]benzamide (PubChem CID 44762148) has the molecular formula C25H32N4O and a molecular weight of 404.56 g/mol. Its IUPAC name is 4-(3,5-dimethyl-4-propylpyrazol-1-yl)-N-[3-(N-methylanilino)propyl]benzamide.

Molecular Properties

Compound Name4-(3,5-dimethyl-4-propylpyrazol-1-yl)-N-[3-(N-methylanilino)propyl]benzamide
PubChem CID44762148
Molecular FormulaC25H32N4O
Molecular Weight404.56 g/mol
Exact Mass404.26
IUPAC Name4-(3,5-dimethyl-4-propylpyrazol-1-yl)-N-[3-(N-methylanilino)propyl]benzamide
SMILESCCCc1c(C)nn(-c2ccc(C(=O)NCCCN(C)c3ccccc3)cc2)c1C
InChIInChI=1S/C25H32N4O/c1-5-10-24-19(2)27-29(20(24)3)23-15-13-21(14-16-23)25(30)26-17-9-18-28(4)22-11-7-6-8-12-22/h6-8,11-16H,5,9-10,17-18H2,1-4H3,(H,26,30)
InChIKeyJRUQDJGTUXYBNY-UHFFFAOYSA-N
XLogP4.70
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.56
LogP ≤ 54.70
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

4-methyl-N-[3-(N-methylanilino)propyl]benzamide
CID 27746793
N-[3-(N-methylanilino)propyl]benzamide
CID 18110891
3-[1-[4-(ethylcarbamoyl)phenyl]-3,5-dimethylpyrazol-4-yl]propanoic acid
CID 119181040
4-bromo-N-[3-(N-methylanilino)propyl]benzamide
CID 8802898
N-[3-(N-methylanilino)propyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 51305394
methyl 4-[3-(N-methylanilino)propylcarbamoyl]benzoate
CID 27746721
1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-[3-(2-fluoro-N-methylanilino)propyl]urea
CID 60547300
methyl 3-[3,5-dimethyl-1-[4-[methyl(phenyl)carbamoyl]phenyl]pyrazol-4-yl]propanoate
CID 39965080
1-N,4-N-bis[2-(N-methylanilino)ethyl]benzene-1,4-dicarboxamide
CID 35617422
N-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethyl]pentanamide
CID 110717337
1-ethyl-3-methyl-N-[3-(N-methylanilino)propyl]-2-oxoquinoxaline-6-carboxamide
CID 37315842
3-[1-[4-(2-cyclopropylethylcarbamoyl)phenyl]-3,5-dimethylpyrazol-4-yl]propanoic acid
CID 120692040

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethyl-4-propylpyrazol-1-yl)-N-[3-(N-methylanilino)propyl]benzamide?
The IUPAC name of 4-(3,5-dimethyl-4-propylpyrazol-1-yl)-N-[3-(N-methylanilino)propyl]benzamide (CID 44762148) is 4-(3,5-dimethyl-4-propylpyrazol-1-yl)-N-[3-(N-methylanilino)propyl]benzamide.
What is the SMILES notation for 4-(3,5-dimethyl-4-propylpyrazol-1-yl)-N-[3-(N-methylanilino)propyl]benzamide?
The canonical SMILES for 4-(3,5-dimethyl-4-propylpyrazol-1-yl)-N-[3-(N-methylanilino)propyl]benzamide is CCCc1c(C)nn(-c2ccc(C(=O)NCCCN(C)c3ccccc3)cc2)c1C.
What is the InChIKey of 4-(3,5-dimethyl-4-propylpyrazol-1-yl)-N-[3-(N-methylanilino)propyl]benzamide?
The InChIKey is JRUQDJGTUXYBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O/c1-5-10-24-19(2)27-29(20(24)3)23-15-13-21(14-16-23)25(30)26-17-9-18-28(4)22-11-7-6-8-12-22/h6-8,11-16H,5,9-10,17-18H2,1-4H3,(H,26,30).
What are the key properties of 4-(3,5-dimethyl-4-propylpyrazol-1-yl)-N-[3-(N-methylanilino)propyl]benzamide?
4-(3,5-dimethyl-4-propylpyrazol-1-yl)-N-[3-(N-methylanilino)propyl]benzamide has a molecular weight of 404.56 g/mol, XLogP of 4.70, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethyl-4-propylpyrazol-1-yl)-N-[3-(N-methylanilino)propyl]benzamide is sourced from PubChem (CID 44762148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).