N-(1-butyl-3,5-dimethylpyrazol-4-yl)-3-[(4-methoxybenzoyl)amino]benzamide

C24H28N4O3 — CID 21369355

IUPACN-(1-butyl-3,5-dimethylpyrazol-4-yl)-3-[(4-methoxybenzoyl)amino]benzamide
SMILESCCCCn1nc(C)c(NC(=O)c2cccc(NC(=O)c3ccc(OC)cc3)c2)c1C
InChIInChI=1S/C24H28N4O3/c1-5-6-14-28-17(3)22(16(2)27-28)26-24(30)19-8-7-9-20(15-19)25-23(29)18-10-12-21(31-4)13-11-18/h7-13,15H,5-6,14H2,1-4H3,(H,25,29)(H,26,30)
InChIKeyVBSHUFXNYOTPLS-UHFFFAOYSA-N
MW420.51 g/mol
LogP4.81
Rot. Bonds8

About N-(1-butyl-3,5-dimethylpyrazol-4-yl)-3-[(4-methoxybenzoyl)amino]benzamide

N-(1-butyl-3,5-dimethylpyrazol-4-yl)-3-[(4-methoxybenzoyl)amino]benzamide (PubChem CID 21369355) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is N-(1-butyl-3,5-dimethylpyrazol-4-yl)-3-[(4-methoxybenzoyl)amino]benzamide.

Molecular Properties

Compound NameN-(1-butyl-3,5-dimethylpyrazol-4-yl)-3-[(4-methoxybenzoyl)amino]benzamide
PubChem CID21369355
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC NameN-(1-butyl-3,5-dimethylpyrazol-4-yl)-3-[(4-methoxybenzoyl)amino]benzamide
SMILESCCCCn1nc(C)c(NC(=O)c2cccc(NC(=O)c3ccc(OC)cc3)c2)c1C
InChIInChI=1S/C24H28N4O3/c1-5-6-14-28-17(3)22(16(2)27-28)26-24(30)19-8-7-9-20(15-19)25-23(29)18-10-12-21(31-4)13-11-18/h7-13,15H,5-6,14H2,1-4H3,(H,25,29)(H,26,30)
InChIKeyVBSHUFXNYOTPLS-UHFFFAOYSA-N
XLogP4.81
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[(1-butyl-3,5-dimethylpyrazol-4-yl)carbamoyl]phenyl]-3-methylbenzamide
CID 21369352
N-[3-[(1-butyl-3,5-dimethylpyrazol-4-yl)carbamoyl]phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 21369398
ethyl N-[4-[(1-butyl-3,5-dimethylpyrazol-4-yl)carbamoyl]phenyl]carbamate
CID 21369347
N-(1-butyl-3,5-dimethylpyrazol-4-yl)-4-(2,2-dimethylpropanoylamino)benzamide
CID 21369322
N-(1-butyl-3,5-dimethylpyrazol-4-yl)-4-[(2-phenylacetyl)amino]benzamide
CID 21369305
3-bromo-N-[3-[(4-methoxybenzoyl)amino]phenyl]benzamide
CID 118722824
4-[[(E)-but-2-enoyl]amino]-N-(1-butyl-3,5-dimethylpyrazol-4-yl)benzamide
CID 21369339
3-[(4-ethoxybenzoyl)amino]-N-(4-methoxyphenyl)benzamide
CID 1228510
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-6-methoxynaphthalene-2-carboxamide
CID 167835152
3-[(4-methoxybenzoyl)amino]-N,N-dipropylbenzamide
CID 26162261
N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-4-methoxybenzamide
CID 19409659
butyl 3-[(3-methoxybenzoyl)amino]benzoate
CID 19166278

Frequently Asked Questions

What is the IUPAC name of N-(1-butyl-3,5-dimethylpyrazol-4-yl)-3-[(4-methoxybenzoyl)amino]benzamide?
The IUPAC name of N-(1-butyl-3,5-dimethylpyrazol-4-yl)-3-[(4-methoxybenzoyl)amino]benzamide (CID 21369355) is N-(1-butyl-3,5-dimethylpyrazol-4-yl)-3-[(4-methoxybenzoyl)amino]benzamide.
What is the SMILES notation for N-(1-butyl-3,5-dimethylpyrazol-4-yl)-3-[(4-methoxybenzoyl)amino]benzamide?
The canonical SMILES for N-(1-butyl-3,5-dimethylpyrazol-4-yl)-3-[(4-methoxybenzoyl)amino]benzamide is CCCCn1nc(C)c(NC(=O)c2cccc(NC(=O)c3ccc(OC)cc3)c2)c1C.
What is the InChIKey of N-(1-butyl-3,5-dimethylpyrazol-4-yl)-3-[(4-methoxybenzoyl)amino]benzamide?
The InChIKey is VBSHUFXNYOTPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-5-6-14-28-17(3)22(16(2)27-28)26-24(30)19-8-7-9-20(15-19)25-23(29)18-10-12-21(31-4)13-11-18/h7-13,15H,5-6,14H2,1-4H3,(H,25,29)(H,26,30).
What are the key properties of N-(1-butyl-3,5-dimethylpyrazol-4-yl)-3-[(4-methoxybenzoyl)amino]benzamide?
N-(1-butyl-3,5-dimethylpyrazol-4-yl)-3-[(4-methoxybenzoyl)amino]benzamide has a molecular weight of 420.51 g/mol, XLogP of 4.81, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-butyl-3,5-dimethylpyrazol-4-yl)-3-[(4-methoxybenzoyl)amino]benzamide is sourced from PubChem (CID 21369355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).