N-[3-[(1-butyl-3,5-dimethylpyrazol-4-yl)carbamoyl]phenyl]-3-methylbenzamide

C24H28N4O2 — CID 21369352

IUPACN-[3-[(1-butyl-3,5-dimethylpyrazol-4-yl)carbamoyl]phenyl]-3-methylbenzamide
SMILESCCCCn1nc(C)c(NC(=O)c2cccc(NC(=O)c3cccc(C)c3)c2)c1C
InChIInChI=1S/C24H28N4O2/c1-5-6-13-28-18(4)22(17(3)27-28)26-24(30)20-11-8-12-21(15-20)25-23(29)19-10-7-9-16(2)14-19/h7-12,14-15H,5-6,13H2,1-4H3,(H,25,29)(H,26,30)
InChIKeyLVEWJZVGEPAYEW-UHFFFAOYSA-N
MW404.51 g/mol
LogP5.11
Rot. Bonds7

About N-[3-[(1-butyl-3,5-dimethylpyrazol-4-yl)carbamoyl]phenyl]-3-methylbenzamide

N-[3-[(1-butyl-3,5-dimethylpyrazol-4-yl)carbamoyl]phenyl]-3-methylbenzamide (PubChem CID 21369352) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is N-[3-[(1-butyl-3,5-dimethylpyrazol-4-yl)carbamoyl]phenyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[3-[(1-butyl-3,5-dimethylpyrazol-4-yl)carbamoyl]phenyl]-3-methylbenzamide
PubChem CID21369352
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC NameN-[3-[(1-butyl-3,5-dimethylpyrazol-4-yl)carbamoyl]phenyl]-3-methylbenzamide
SMILESCCCCn1nc(C)c(NC(=O)c2cccc(NC(=O)c3cccc(C)c3)c2)c1C
InChIInChI=1S/C24H28N4O2/c1-5-6-13-28-18(4)22(17(3)27-28)26-24(30)20-11-8-12-21(15-20)25-23(29)19-10-7-9-16(2)14-19/h7-12,14-15H,5-6,13H2,1-4H3,(H,25,29)(H,26,30)
InChIKeyLVEWJZVGEPAYEW-UHFFFAOYSA-N
XLogP5.11
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.51
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-butyl-3,5-dimethylpyrazol-4-yl)-3-[(4-methoxybenzoyl)amino]benzamide
CID 21369355
N-[3-[(1-butyl-3,5-dimethylpyrazol-4-yl)carbamoyl]phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 21369398
1-butyl-5-chloro-3-methyl-N-(3-methylphenyl)pyrazole-4-carboxamide
CID 9038891
4-[[(E)-but-2-enoyl]amino]-N-(1-butyl-3,5-dimethylpyrazol-4-yl)benzamide
CID 21369339
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
N-[3-(diethylcarbamoyl)phenyl]-3-methylbenzamide
CID 17194507
N-(3-acetamidophenyl)-3-methylbenzamide
CID 766081
3-bromo-N-[1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]benzamide
CID 17088711
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-(propanoylamino)benzamide
CID 21369239
3-methyl-N-[4-(pentylamino)phenyl]benzamide
CID 112985190
N-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]-3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzamide
CID 19346553

Frequently Asked Questions

What is the IUPAC name of N-[3-[(1-butyl-3,5-dimethylpyrazol-4-yl)carbamoyl]phenyl]-3-methylbenzamide?
The IUPAC name of N-[3-[(1-butyl-3,5-dimethylpyrazol-4-yl)carbamoyl]phenyl]-3-methylbenzamide (CID 21369352) is N-[3-[(1-butyl-3,5-dimethylpyrazol-4-yl)carbamoyl]phenyl]-3-methylbenzamide.
What is the SMILES notation for N-[3-[(1-butyl-3,5-dimethylpyrazol-4-yl)carbamoyl]phenyl]-3-methylbenzamide?
The canonical SMILES for N-[3-[(1-butyl-3,5-dimethylpyrazol-4-yl)carbamoyl]phenyl]-3-methylbenzamide is CCCCn1nc(C)c(NC(=O)c2cccc(NC(=O)c3cccc(C)c3)c2)c1C.
What is the InChIKey of N-[3-[(1-butyl-3,5-dimethylpyrazol-4-yl)carbamoyl]phenyl]-3-methylbenzamide?
The InChIKey is LVEWJZVGEPAYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-5-6-13-28-18(4)22(17(3)27-28)26-24(30)20-11-8-12-21(15-20)25-23(29)19-10-7-9-16(2)14-19/h7-12,14-15H,5-6,13H2,1-4H3,(H,25,29)(H,26,30).
What are the key properties of N-[3-[(1-butyl-3,5-dimethylpyrazol-4-yl)carbamoyl]phenyl]-3-methylbenzamide?
N-[3-[(1-butyl-3,5-dimethylpyrazol-4-yl)carbamoyl]phenyl]-3-methylbenzamide has a molecular weight of 404.51 g/mol, XLogP of 5.11, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1-butyl-3,5-dimethylpyrazol-4-yl)carbamoyl]phenyl]-3-methylbenzamide is sourced from PubChem (CID 21369352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).