N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2-(5-oxo-1,2-dihydropyrazol-3-yl)acetamide

C14H17N5O2 — CID 5424889

IUPACN-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2-(5-oxo-1,2-dihydropyrazol-3-yl)acetamide
SMILESCN(C)c1ccc(/C=N\NC(=O)Cc2cc(=O)[nH][nH]2)cc1
InChIInChI=1S/C14H17N5O2/c1-19(2)12-5-3-10(4-6-12)9-15-17-13(20)7-11-8-14(21)18-16-11/h3-6,8-9H,7H2,1-2H3,(H,17,20)(H2,16,18,21)/b15-9-
InChIKeyXPTRTFCRHPZRTA-DHDCSXOGSA-N
MW287.32 g/mol
LogP0.46
Rot. Bonds5

About N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2-(5-oxo-1,2-dihydropyrazol-3-yl)acetamide

N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2-(5-oxo-1,2-dihydropyrazol-3-yl)acetamide (PubChem CID 5424889) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2-(5-oxo-1,2-dihydropyrazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2-(5-oxo-1,2-dihydropyrazol-3-yl)acetamide
PubChem CID5424889
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC NameN-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2-(5-oxo-1,2-dihydropyrazol-3-yl)acetamide
SMILESCN(C)c1ccc(/C=N\NC(=O)Cc2cc(=O)[nH][nH]2)cc1
InChIInChI=1S/C14H17N5O2/c1-19(2)12-5-3-10(4-6-12)9-15-17-13(20)7-11-8-14(21)18-16-11/h3-6,8-9H,7H2,1-2H3,(H,17,20)(H2,16,18,21)/b15-9-
InChIKeyXPTRTFCRHPZRTA-DHDCSXOGSA-N
XLogP0.46
TPSA93.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_anil_di_alk(35)', '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

N-[(4-methylphenyl)methylideneamino]-2-(5-oxo-1,2-dihydropyrazol-3-yl)acetamide
CID 4504862
N-[(Z)-(3-chlorophenyl)methylideneamino]-2-(5-oxo-1,2-dihydropyrazol-3-yl)acetamide
CID 6132035
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-N'-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]hexanediamide
CID 92856210
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]propanamide
CID 22613567
N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(5-oxo-1,2-dihydropyrazol-3-yl)acetamide
CID 136721213
N-[(Z)-anthracen-9-ylmethylideneamino]-2-(5-oxo-1,2-dihydropyrazol-3-yl)acetamide
CID 6132034
N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-3-methylbutanamide
CID 5407219
N-[(3-methylthiophen-2-yl)methylideneamino]-2-(5-oxo-1,2-dihydropyrazol-3-yl)acetamide
CID 671297
1-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-3-[[4-(dimethylamino)phenyl]methylideneamino]urea
CID 5355984
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-(4-methylanilino)acetamide;hydrochloride
CID 163329045
N-[(2-chloro-3-phenylprop-2-enylidene)amino]-2-(5-oxo-1,2-dihydropyrazol-3-yl)acetamide
CID 3578448
N-[[4-(dimethylamino)phenyl]methylideneamino]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 4250673

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2-(5-oxo-1,2-dihydropyrazol-3-yl)acetamide?
The IUPAC name of N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2-(5-oxo-1,2-dihydropyrazol-3-yl)acetamide (CID 5424889) is N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2-(5-oxo-1,2-dihydropyrazol-3-yl)acetamide.
What is the SMILES notation for N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2-(5-oxo-1,2-dihydropyrazol-3-yl)acetamide?
The canonical SMILES for N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2-(5-oxo-1,2-dihydropyrazol-3-yl)acetamide is CN(C)c1ccc(/C=N\NC(=O)Cc2cc(=O)[nH][nH]2)cc1.
What is the InChIKey of N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2-(5-oxo-1,2-dihydropyrazol-3-yl)acetamide?
The InChIKey is XPTRTFCRHPZRTA-DHDCSXOGSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-19(2)12-5-3-10(4-6-12)9-15-17-13(20)7-11-8-14(21)18-16-11/h3-6,8-9H,7H2,1-2H3,(H,17,20)(H2,16,18,21)/b15-9-.
What are the key properties of N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2-(5-oxo-1,2-dihydropyrazol-3-yl)acetamide?
N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2-(5-oxo-1,2-dihydropyrazol-3-yl)acetamide has a molecular weight of 287.32 g/mol, XLogP of 0.46, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2-(5-oxo-1,2-dihydropyrazol-3-yl)acetamide is sourced from PubChem (CID 5424889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).