(2R)-2-methyl-3-phenyl-N-[(Z)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]propanamide

C20H20N4O — CID 136749452

IUPAC(2R)-2-methyl-3-phenyl-N-[(Z)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]propanamide
SMILESC[C@H](Cc1ccccc1)C(=O)N/N=C\c1cn[nH]c1-c1ccccc1
InChIInChI=1S/C20H20N4O/c1-15(12-16-8-4-2-5-9-16)20(25)24-22-14-18-13-21-23-19(18)17-10-6-3-7-11-17/h2-11,13-15H,12H2,1H3,(H,21,23)(H,24,25)/b22-14-/t15-/m1/s1
InChIKeySGGPRFPDFLQJPJ-YZLQOSHFSA-N
MW332.41 g/mol
LogP3.41
Rot. Bonds6

About (2R)-2-methyl-3-phenyl-N-[(Z)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]propanamide

(2R)-2-methyl-3-phenyl-N-[(Z)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]propanamide (PubChem CID 136749452) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is (2R)-2-methyl-3-phenyl-N-[(Z)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]propanamide.

Molecular Properties

Compound Name(2R)-2-methyl-3-phenyl-N-[(Z)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]propanamide
PubChem CID136749452
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name(2R)-2-methyl-3-phenyl-N-[(Z)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]propanamide
SMILESC[C@H](Cc1ccccc1)C(=O)N/N=C\c1cn[nH]c1-c1ccccc1
InChIInChI=1S/C20H20N4O/c1-15(12-16-8-4-2-5-9-16)20(25)24-22-14-18-13-21-23-19(18)17-10-6-3-7-11-17/h2-11,13-15H,12H2,1H3,(H,21,23)(H,24,25)/b22-14-/t15-/m1/s1
InChIKeySGGPRFPDFLQJPJ-YZLQOSHFSA-N
XLogP3.41
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methyl-3-phenyl-N-[(E)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]propanamide
CID 135588723
N-[(Z)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]benzamide
CID 136900537
N-[2-oxo-2-[(2E)-2-[(5-phenyl-1H-pyrazol-4-yl)methylidene]hydrazinyl]ethyl]benzamide
CID 135425046
2-methyl-N-[(E)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]pyrazole-3-carboxamide
CID 135621577
N-[(Z)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]naphthalene-2-carboxamide
CID 135958015
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(Z)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]acetamide
CID 136842706
2-(3-methylanilino)-N-[(Z)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]acetamide
CID 135699390
2-chloro-N-[2-oxo-2-[2-[(5-phenyl-1H-pyrazol-4-yl)methylidene]hydrazinyl]ethyl]benzamide
CID 3376746
2-[(2-phenoxyacetyl)amino]-N-[(5-phenyl-1H-pyrazol-4-yl)methylideneamino]acetamide
CID 3895912
2-(5-aminotetrazol-1-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methylideneamino]acetamide
CID 947960
N-[(Z)-[5-(4-methylphenyl)-1H-pyrazol-4-yl]methylideneamino]thiophene-2-carboxamide
CID 135647508
N-[(E)-[5-(4-ethylphenyl)-1H-pyrazol-4-yl]methylideneamino]naphthalene-1-carboxamide
CID 135621574

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-3-phenyl-N-[(Z)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]propanamide?
The IUPAC name of (2R)-2-methyl-3-phenyl-N-[(Z)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]propanamide (CID 136749452) is (2R)-2-methyl-3-phenyl-N-[(Z)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]propanamide.
What is the SMILES notation for (2R)-2-methyl-3-phenyl-N-[(Z)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]propanamide?
The canonical SMILES for (2R)-2-methyl-3-phenyl-N-[(Z)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]propanamide is C[C@H](Cc1ccccc1)C(=O)N/N=C\c1cn[nH]c1-c1ccccc1.
What is the InChIKey of (2R)-2-methyl-3-phenyl-N-[(Z)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]propanamide?
The InChIKey is SGGPRFPDFLQJPJ-YZLQOSHFSA-N. The full InChI is InChI=1S/C20H20N4O/c1-15(12-16-8-4-2-5-9-16)20(25)24-22-14-18-13-21-23-19(18)17-10-6-3-7-11-17/h2-11,13-15H,12H2,1H3,(H,21,23)(H,24,25)/b22-14-/t15-/m1/s1.
What are the key properties of (2R)-2-methyl-3-phenyl-N-[(Z)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]propanamide?
(2R)-2-methyl-3-phenyl-N-[(Z)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]propanamide has a molecular weight of 332.41 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-3-phenyl-N-[(Z)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]propanamide is sourced from PubChem (CID 136749452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).