(3R)-N-methoxy-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide

C17H17N3O2 — CID 38013267

IUPAC(3R)-N-methoxy-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide
SMILESCONC(=O)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1
InChIInChI=1S/C17H17N3O2/c1-22-19-17(21)15-12-16(13-8-4-2-5-9-13)20(18-15)14-10-6-3-7-11-14/h2-11,16H,12H2,1H3,(H,19,21)/t16-/m1/s1
InChIKeyXYLRXHSVQRULIK-MRXNPFEDSA-N
MW295.34 g/mol
LogP2.67
Rot. Bonds4

About (3R)-N-methoxy-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide

(3R)-N-methoxy-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide (PubChem CID 38013267) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is (3R)-N-methoxy-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide.

Molecular Properties

Compound Name(3R)-N-methoxy-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide
PubChem CID38013267
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name(3R)-N-methoxy-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide
SMILESCONC(=O)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1
InChIInChI=1S/C17H17N3O2/c1-22-19-17(21)15-12-16(13-8-4-2-5-9-13)20(18-15)14-10-6-3-7-11-14/h2-11,16H,12H2,1H3,(H,19,21)/t16-/m1/s1
InChIKeyXYLRXHSVQRULIK-MRXNPFEDSA-N
XLogP2.67
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.67
H-Bond Donors ≤ 51
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 (3R)-N-methoxy-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide?
The IUPAC name of (3R)-N-methoxy-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide (CID 38013267) is (3R)-N-methoxy-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide.
What is the SMILES notation for (3R)-N-methoxy-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide?
The canonical SMILES for (3R)-N-methoxy-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide is CONC(=O)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1.
What is the InChIKey of (3R)-N-methoxy-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide?
The InChIKey is XYLRXHSVQRULIK-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-22-19-17(21)15-12-16(13-8-4-2-5-9-13)20(18-15)14-10-6-3-7-11-14/h2-11,16H,12H2,1H3,(H,19,21)/t16-/m1/s1.
What are the key properties of (3R)-N-methoxy-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide?
(3R)-N-methoxy-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide has a molecular weight of 295.34 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-methoxy-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide is sourced from PubChem (CID 38013267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).