3-cyclopropyl-N-[2-(2-ethylanilino)-2-oxoethyl]-1-phenylpyrazole-5-carboxamide

C23H24N4O2 — CID 9205925

IUPAC3-cyclopropyl-N-[2-(2-ethylanilino)-2-oxoethyl]-1-phenylpyrazole-5-carboxamide
SMILESCCc1ccccc1NC(=O)CNC(=O)c1cc(C2CC2)nn1-c1ccccc1
InChIInChI=1S/C23H24N4O2/c1-2-16-8-6-7-11-19(16)25-22(28)15-24-23(29)21-14-20(17-12-13-17)26-27(21)18-9-4-3-5-10-18/h3-11,14,17H,2,12-13,15H2,1H3,(H,24,29)(H,25,28)
InChIKeyXJBACBCBHVMBDD-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.68
Rot. Bonds7

About 3-cyclopropyl-N-[2-(2-ethylanilino)-2-oxoethyl]-1-phenylpyrazole-5-carboxamide

3-cyclopropyl-N-[2-(2-ethylanilino)-2-oxoethyl]-1-phenylpyrazole-5-carboxamide (PubChem CID 9205925) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 3-cyclopropyl-N-[2-(2-ethylanilino)-2-oxoethyl]-1-phenylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-N-[2-(2-ethylanilino)-2-oxoethyl]-1-phenylpyrazole-5-carboxamide
PubChem CID9205925
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name3-cyclopropyl-N-[2-(2-ethylanilino)-2-oxoethyl]-1-phenylpyrazole-5-carboxamide
SMILESCCc1ccccc1NC(=O)CNC(=O)c1cc(C2CC2)nn1-c1ccccc1
InChIInChI=1S/C23H24N4O2/c1-2-16-8-6-7-11-19(16)25-22(28)15-24-23(29)21-14-20(17-12-13-17)26-27(21)18-9-4-3-5-10-18/h3-11,14,17H,2,12-13,15H2,1H3,(H,24,29)(H,25,28)
InChIKeyXJBACBCBHVMBDD-UHFFFAOYSA-N
XLogP3.68
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[2-(2-ethylanilino)-2-oxoethyl]-1-phenylpyrazole-5-carboxamide?
The IUPAC name of 3-cyclopropyl-N-[2-(2-ethylanilino)-2-oxoethyl]-1-phenylpyrazole-5-carboxamide (CID 9205925) is 3-cyclopropyl-N-[2-(2-ethylanilino)-2-oxoethyl]-1-phenylpyrazole-5-carboxamide.
What is the SMILES notation for 3-cyclopropyl-N-[2-(2-ethylanilino)-2-oxoethyl]-1-phenylpyrazole-5-carboxamide?
The canonical SMILES for 3-cyclopropyl-N-[2-(2-ethylanilino)-2-oxoethyl]-1-phenylpyrazole-5-carboxamide is CCc1ccccc1NC(=O)CNC(=O)c1cc(C2CC2)nn1-c1ccccc1.
What is the InChIKey of 3-cyclopropyl-N-[2-(2-ethylanilino)-2-oxoethyl]-1-phenylpyrazole-5-carboxamide?
The InChIKey is XJBACBCBHVMBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-2-16-8-6-7-11-19(16)25-22(28)15-24-23(29)21-14-20(17-12-13-17)26-27(21)18-9-4-3-5-10-18/h3-11,14,17H,2,12-13,15H2,1H3,(H,24,29)(H,25,28).
What are the key properties of 3-cyclopropyl-N-[2-(2-ethylanilino)-2-oxoethyl]-1-phenylpyrazole-5-carboxamide?
3-cyclopropyl-N-[2-(2-ethylanilino)-2-oxoethyl]-1-phenylpyrazole-5-carboxamide has a molecular weight of 388.47 g/mol, XLogP of 3.68, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[2-(2-ethylanilino)-2-oxoethyl]-1-phenylpyrazole-5-carboxamide is sourced from PubChem (CID 9205925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).