3,5-dimethyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-1-phenylpyrazole-4-carboxamide

C23H26N4O2 — CID 34590890

IUPAC3,5-dimethyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-1-phenylpyrazole-4-carboxamide
SMILESCc1nn(-c2ccccc2)c(C)c1C(=O)NCc1cccc(NC(=O)C(C)C)c1
InChIInChI=1S/C23H26N4O2/c1-15(2)22(28)25-19-10-8-9-18(13-19)14-24-23(29)21-16(3)26-27(17(21)4)20-11-6-5-7-12-20/h5-13,15H,14H2,1-4H3,(H,24,29)(H,25,28)
InChIKeyIOKGRDFRQRNUNB-UHFFFAOYSA-N
MW390.49 g/mol
LogP4.01
Rot. Bonds6

About 3,5-dimethyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-1-phenylpyrazole-4-carboxamide

3,5-dimethyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-1-phenylpyrazole-4-carboxamide (PubChem CID 34590890) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 3,5-dimethyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-1-phenylpyrazole-4-carboxamide
PubChem CID34590890
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name3,5-dimethyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-1-phenylpyrazole-4-carboxamide
SMILESCc1nn(-c2ccccc2)c(C)c1C(=O)NCc1cccc(NC(=O)C(C)C)c1
InChIInChI=1S/C23H26N4O2/c1-15(2)22(28)25-19-10-8-9-18(13-19)14-24-23(29)21-16(3)26-27(17(21)4)20-11-6-5-7-12-20/h5-13,15H,14H2,1-4H3,(H,24,29)(H,25,28)
InChIKeyIOKGRDFRQRNUNB-UHFFFAOYSA-N
XLogP4.01
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Penflufen
CID 11674113
N4-(4-fluorophenyl)-1-phenyl-5-propyl-1H-pyrazole-4-carboxamide
CID 2808002
1H-Pyrazole-4-carboxamide, 1,3-diphenyl-5-methyl-N-(phenylmethyl)-
CID 997622
5-methyl-N,1-diphenylpyrazole-4-carboxamide
CID 827598
N-(2,4-difluorophenyl)-1-phenyl-5-propyl-1H-pyrazole-4-carboxamide
CID 2811411
N-(3-methylphenyl)-1,3-diphenyl-1H-pyrazole-4-carboxamide
CID 3510494
1H-Pyrazole-4-acetamide, 3,5-dimethyl-1-phenyl-N-(phenylmethyl)-
CID 3079322
1-(3-{[(2S)-2-aminopropanamido]methyl}phenyl)-N-benzyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 24962989
3-cyclopropyl-N-[2-(2-ethylanilino)-2-oxoethyl]-1-phenylpyrazole-5-carboxamide
CID 9205925
N-(3,4-dimethylphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 850328
5-methyl-N-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 850329
N-(3-fluorophenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 850330

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 3,5-dimethyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-1-phenylpyrazole-4-carboxamide (CID 34590890) is 3,5-dimethyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-1-phenylpyrazole-4-carboxamide is Cc1nn(-c2ccccc2)c(C)c1C(=O)NCc1cccc(NC(=O)C(C)C)c1.
What is the InChIKey of 3,5-dimethyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-1-phenylpyrazole-4-carboxamide?
The InChIKey is IOKGRDFRQRNUNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-15(2)22(28)25-19-10-8-9-18(13-19)14-24-23(29)21-16(3)26-27(17(21)4)20-11-6-5-7-12-20/h5-13,15H,14H2,1-4H3,(H,24,29)(H,25,28).
What are the key properties of 3,5-dimethyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-1-phenylpyrazole-4-carboxamide?
3,5-dimethyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-1-phenylpyrazole-4-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 4.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 34590890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).