N-methoxy-N-methyl-2,4-diphenyl-3,4-dihydropyrazole-5-carboxamide

C18H19N3O2 — CID 59664786

IUPACN-methoxy-N-methyl-2,4-diphenyl-3,4-dihydropyrazole-5-carboxamide
SMILESCON(C)C(=O)C1=NN(c2ccccc2)CC1c1ccccc1
InChIInChI=1S/C18H19N3O2/c1-20(23-2)18(22)17-16(14-9-5-3-6-10-14)13-21(19-17)15-11-7-4-8-12-15/h3-12,16H,13H2,1-2H3
InChIKeyYXBRQLYYPQXAFW-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.67
Rot. Bonds4

About N-methoxy-N-methyl-2,4-diphenyl-3,4-dihydropyrazole-5-carboxamide

N-methoxy-N-methyl-2,4-diphenyl-3,4-dihydropyrazole-5-carboxamide (PubChem CID 59664786) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-methoxy-N-methyl-2,4-diphenyl-3,4-dihydropyrazole-5-carboxamide.

Molecular Properties

Compound NameN-methoxy-N-methyl-2,4-diphenyl-3,4-dihydropyrazole-5-carboxamide
PubChem CID59664786
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC NameN-methoxy-N-methyl-2,4-diphenyl-3,4-dihydropyrazole-5-carboxamide
SMILESCON(C)C(=O)C1=NN(c2ccccc2)CC1c1ccccc1
InChIInChI=1S/C18H19N3O2/c1-20(23-2)18(22)17-16(14-9-5-3-6-10-14)13-21(19-17)15-11-7-4-8-12-15/h3-12,16H,13H2,1-2H3
InChIKeyYXBRQLYYPQXAFW-UHFFFAOYSA-N
XLogP2.67
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-methyl-2,4-diphenyl-3,4-dihydropyrazole-5-carboxamide?
The IUPAC name of N-methoxy-N-methyl-2,4-diphenyl-3,4-dihydropyrazole-5-carboxamide (CID 59664786) is N-methoxy-N-methyl-2,4-diphenyl-3,4-dihydropyrazole-5-carboxamide.
What is the SMILES notation for N-methoxy-N-methyl-2,4-diphenyl-3,4-dihydropyrazole-5-carboxamide?
The canonical SMILES for N-methoxy-N-methyl-2,4-diphenyl-3,4-dihydropyrazole-5-carboxamide is CON(C)C(=O)C1=NN(c2ccccc2)CC1c1ccccc1.
What is the InChIKey of N-methoxy-N-methyl-2,4-diphenyl-3,4-dihydropyrazole-5-carboxamide?
The InChIKey is YXBRQLYYPQXAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-20(23-2)18(22)17-16(14-9-5-3-6-10-14)13-21(19-17)15-11-7-4-8-12-15/h3-12,16H,13H2,1-2H3.
What are the key properties of N-methoxy-N-methyl-2,4-diphenyl-3,4-dihydropyrazole-5-carboxamide?
N-methoxy-N-methyl-2,4-diphenyl-3,4-dihydropyrazole-5-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-methyl-2,4-diphenyl-3,4-dihydropyrazole-5-carboxamide is sourced from PubChem (CID 59664786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).