N'-[(Z)-[1-(2-cyanoethyl)-3-phenylpyrazol-4-yl]methylideneamino]-N-cyclopropyloxamide

C18H18N6O2 — CID 9352466

IUPACN'-[(Z)-[1-(2-cyanoethyl)-3-phenylpyrazol-4-yl]methylideneamino]-N-cyclopropyloxamide
SMILESN#CCCn1cc(/C=N\NC(=O)C(=O)NC2CC2)c(-c2ccccc2)n1
InChIInChI=1S/C18H18N6O2/c19-9-4-10-24-12-14(16(23-24)13-5-2-1-3-6-13)11-20-22-18(26)17(25)21-15-7-8-15/h1-3,5-6,11-12,15H,4,7-8,10H2,(H,21,25)(H,22,26)/b20-11-
InChIKeyCWIQOKFDNCNZOI-JAIQZWGSSA-N
MW350.38 g/mol
LogP1.19
Rot. Bonds6

About N'-[(Z)-[1-(2-cyanoethyl)-3-phenylpyrazol-4-yl]methylideneamino]-N-cyclopropyloxamide

N'-[(Z)-[1-(2-cyanoethyl)-3-phenylpyrazol-4-yl]methylideneamino]-N-cyclopropyloxamide (PubChem CID 9352466) has the molecular formula C18H18N6O2 and a molecular weight of 350.38 g/mol. Its IUPAC name is N'-[(Z)-[1-(2-cyanoethyl)-3-phenylpyrazol-4-yl]methylideneamino]-N-cyclopropyloxamide.

Molecular Properties

Compound NameN'-[(Z)-[1-(2-cyanoethyl)-3-phenylpyrazol-4-yl]methylideneamino]-N-cyclopropyloxamide
PubChem CID9352466
Molecular FormulaC18H18N6O2
Molecular Weight350.38 g/mol
Exact Mass350.15
IUPAC NameN'-[(Z)-[1-(2-cyanoethyl)-3-phenylpyrazol-4-yl]methylideneamino]-N-cyclopropyloxamide
SMILESN#CCCn1cc(/C=N\NC(=O)C(=O)NC2CC2)c(-c2ccccc2)n1
InChIInChI=1S/C18H18N6O2/c19-9-4-10-24-12-14(16(23-24)13-5-2-1-3-6-13)11-20-22-18(26)17(25)21-15-7-8-15/h1-3,5-6,11-12,15H,4,7-8,10H2,(H,21,25)(H,22,26)/b20-11-
InChIKeyCWIQOKFDNCNZOI-JAIQZWGSSA-N
XLogP1.19
TPSA112.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-cyano-3-[1-(2-cyanoethyl)-3-phenylpyrazol-4-yl]-N-cyclohexylprop-2-enamide
CID 8862067
N-cyclopropyl-N'-[(Z)-[3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methylideneamino]oxamide
CID 9352759
N-cyclopropyl-N'-[(Z)-[1-(2-methylphenyl)-3-phenylpyrazol-4-yl]methylideneamino]oxamide
CID 9352748
(3R)-N-[(Z)-[1-(2-cyanoethyl)-3-phenylpyrazol-4-yl]methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 9238412
2-(4-chlorophenoxy)-N-[(Z)-[1-(2-cyanoethyl)-3-phenylpyrazol-4-yl]methylideneamino]acetamide
CID 9358676
N-cyclopropyl-N'-[(Z)-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]oxamide
CID 9352555
N-[(E)-[1-(2-cyanoethyl)-3-(4-fluorophenyl)pyrazol-4-yl]methylideneamino]pyridine-4-carboxamide
CID 6899098
1-(2-cyanoethyl)-3-phenylpyrazole-4-carboxylic acid
CID 2333905
3-[4-[(Z)-[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-3-phenylpyrazol-1-yl]propanenitrile
CID 9069321
3-[4-[(1,3-dioxoinden-2-ylidene)methyl]-3-phenylpyrazol-1-yl]propanenitrile
CID 8855126
3-[3-phenyl-4-[(E)-(pyridine-4-carbonylhydrazinylidene)methyl]pyrazol-1-yl]propanoic acid
CID 42559854
2-[(E)-2-[1-(2-cyanoethyl)-3-phenylpyrazol-4-yl]ethenyl]quinoline-4-carboxylic acid
CID 9446895

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-[1-(2-cyanoethyl)-3-phenylpyrazol-4-yl]methylideneamino]-N-cyclopropyloxamide?
The IUPAC name of N'-[(Z)-[1-(2-cyanoethyl)-3-phenylpyrazol-4-yl]methylideneamino]-N-cyclopropyloxamide (CID 9352466) is N'-[(Z)-[1-(2-cyanoethyl)-3-phenylpyrazol-4-yl]methylideneamino]-N-cyclopropyloxamide.
What is the SMILES notation for N'-[(Z)-[1-(2-cyanoethyl)-3-phenylpyrazol-4-yl]methylideneamino]-N-cyclopropyloxamide?
The canonical SMILES for N'-[(Z)-[1-(2-cyanoethyl)-3-phenylpyrazol-4-yl]methylideneamino]-N-cyclopropyloxamide is N#CCCn1cc(/C=N\NC(=O)C(=O)NC2CC2)c(-c2ccccc2)n1.
What is the InChIKey of N'-[(Z)-[1-(2-cyanoethyl)-3-phenylpyrazol-4-yl]methylideneamino]-N-cyclopropyloxamide?
The InChIKey is CWIQOKFDNCNZOI-JAIQZWGSSA-N. The full InChI is InChI=1S/C18H18N6O2/c19-9-4-10-24-12-14(16(23-24)13-5-2-1-3-6-13)11-20-22-18(26)17(25)21-15-7-8-15/h1-3,5-6,11-12,15H,4,7-8,10H2,(H,21,25)(H,22,26)/b20-11-.
What are the key properties of N'-[(Z)-[1-(2-cyanoethyl)-3-phenylpyrazol-4-yl]methylideneamino]-N-cyclopropyloxamide?
N'-[(Z)-[1-(2-cyanoethyl)-3-phenylpyrazol-4-yl]methylideneamino]-N-cyclopropyloxamide has a molecular weight of 350.38 g/mol, XLogP of 1.19, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-[1-(2-cyanoethyl)-3-phenylpyrazol-4-yl]methylideneamino]-N-cyclopropyloxamide is sourced from PubChem (CID 9352466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).