3-N,4-N-diethyl-1-methyl-3-N,4-N-diphenylpyrazole-3,4-dicarboxamide

C22H24N4O2 — CID 29097744

IUPAC3-N,4-N-diethyl-1-methyl-3-N,4-N-diphenylpyrazole-3,4-dicarboxamide
SMILESCCN(C(=O)c1cn(C)nc1C(=O)N(CC)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H24N4O2/c1-4-25(17-12-8-6-9-13-17)21(27)19-16-24(3)23-20(19)22(28)26(5-2)18-14-10-7-11-15-18/h6-16H,4-5H2,1-3H3
InChIKeyPBAIMAKPVRLDCR-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.75
Rot. Bonds6

About 3-N,4-N-diethyl-1-methyl-3-N,4-N-diphenylpyrazole-3,4-dicarboxamide

3-N,4-N-diethyl-1-methyl-3-N,4-N-diphenylpyrazole-3,4-dicarboxamide (PubChem CID 29097744) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 3-N,4-N-diethyl-1-methyl-3-N,4-N-diphenylpyrazole-3,4-dicarboxamide.

Molecular Properties

Compound Name3-N,4-N-diethyl-1-methyl-3-N,4-N-diphenylpyrazole-3,4-dicarboxamide
PubChem CID29097744
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name3-N,4-N-diethyl-1-methyl-3-N,4-N-diphenylpyrazole-3,4-dicarboxamide
SMILESCCN(C(=O)c1cn(C)nc1C(=O)N(CC)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H24N4O2/c1-4-25(17-12-8-6-9-13-17)21(27)19-16-24(3)23-20(19)22(28)26(5-2)18-14-10-7-11-15-18/h6-16H,4-5H2,1-3H3
InChIKeyPBAIMAKPVRLDCR-UHFFFAOYSA-N
XLogP3.75
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-butyl-1-methyl-N-phenylpyrazole-3-carboxamide
CID 65355446
N-ethyl-2-methyl-1-oxo-N-phenylisoquinoline-4-carboxamide
CID 22334703
4-amino-N-ethyl-N-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide
CID 65354287
4-amino-N-ethyl-1-(2-fluoroethyl)-N-phenylpyrazole-3-carboxamide
CID 132586605
N-ethyl-5-methyl-N-phenyl-2H-triazole-4-carboxamide
CID 110691733
N-ethyl-2,3-dihydroxy-N-phenylbenzamide
CID 114343845
N-ethyl-3-methyl-N-phenylimidazole-4-carboxamide
CID 42789423
5-[ethyl(phenyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 19623720
1-(2-aminoethyl)-N-ethyl-N-phenylimidazole-4-carboxamide
CID 107495717
N-ethyl-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 110857874
4-amino-N-ethyl-1-methyl-N-phenylpyrazole-5-carboxamide
CID 3112957
2,5-dibromo-N-ethyl-N-phenylbenzamide
CID 53352174

Frequently Asked Questions

What is the IUPAC name of 3-N,4-N-diethyl-1-methyl-3-N,4-N-diphenylpyrazole-3,4-dicarboxamide?
The IUPAC name of 3-N,4-N-diethyl-1-methyl-3-N,4-N-diphenylpyrazole-3,4-dicarboxamide (CID 29097744) is 3-N,4-N-diethyl-1-methyl-3-N,4-N-diphenylpyrazole-3,4-dicarboxamide.
What is the SMILES notation for 3-N,4-N-diethyl-1-methyl-3-N,4-N-diphenylpyrazole-3,4-dicarboxamide?
The canonical SMILES for 3-N,4-N-diethyl-1-methyl-3-N,4-N-diphenylpyrazole-3,4-dicarboxamide is CCN(C(=O)c1cn(C)nc1C(=O)N(CC)c1ccccc1)c1ccccc1.
What is the InChIKey of 3-N,4-N-diethyl-1-methyl-3-N,4-N-diphenylpyrazole-3,4-dicarboxamide?
The InChIKey is PBAIMAKPVRLDCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-4-25(17-12-8-6-9-13-17)21(27)19-16-24(3)23-20(19)22(28)26(5-2)18-14-10-7-11-15-18/h6-16H,4-5H2,1-3H3.
What are the key properties of 3-N,4-N-diethyl-1-methyl-3-N,4-N-diphenylpyrazole-3,4-dicarboxamide?
3-N,4-N-diethyl-1-methyl-3-N,4-N-diphenylpyrazole-3,4-dicarboxamide has a molecular weight of 376.46 g/mol, XLogP of 3.75, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,4-N-diethyl-1-methyl-3-N,4-N-diphenylpyrazole-3,4-dicarboxamide is sourced from PubChem (CID 29097744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).