3-(3,5-dimethylpyrazol-1-yl)-N-[(Z)-naphthalen-1-ylmethylideneamino]propanamide

C19H20N4O — CID 5418862

IUPAC3-(3,5-dimethylpyrazol-1-yl)-N-[(Z)-naphthalen-1-ylmethylideneamino]propanamide
SMILESCc1cc(C)n(CCC(=O)N/N=C\c2cccc3ccccc23)n1
InChIInChI=1S/C19H20N4O/c1-14-12-15(2)23(22-14)11-10-19(24)21-20-13-17-8-5-7-16-6-3-4-9-18(16)17/h3-9,12-13H,10-11H2,1-2H3,(H,21,24)/b20-13-
InChIKeyFVCSEUIHABBYMQ-MOSHPQCFSA-N
MW320.40 g/mol
LogP3.19
Rot. Bonds5

About 3-(3,5-dimethylpyrazol-1-yl)-N-[(Z)-naphthalen-1-ylmethylideneamino]propanamide

3-(3,5-dimethylpyrazol-1-yl)-N-[(Z)-naphthalen-1-ylmethylideneamino]propanamide (PubChem CID 5418862) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)-N-[(Z)-naphthalen-1-ylmethylideneamino]propanamide.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)-N-[(Z)-naphthalen-1-ylmethylideneamino]propanamide
PubChem CID5418862
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)-N-[(Z)-naphthalen-1-ylmethylideneamino]propanamide
SMILESCc1cc(C)n(CCC(=O)N/N=C\c2cccc3ccccc23)n1
InChIInChI=1S/C19H20N4O/c1-14-12-15(2)23(22-14)11-10-19(24)21-20-13-17-8-5-7-16-6-3-4-9-18(16)17/h3-9,12-13H,10-11H2,1-2H3,(H,21,24)/b20-13-
InChIKeyFVCSEUIHABBYMQ-MOSHPQCFSA-N
XLogP3.19
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 135517055
N-[(E)-naphthalen-1-ylmethylideneamino]-N'-[(Z)-naphthalen-1-ylmethylideneamino]butanediamide
CID 92959506
N-[(E)-(2-chlorophenyl)methylideneamino]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 6886093
N-[[4-(dimethylamino)phenyl]methylideneamino]-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 917196
3-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyphenyl)propanamide
CID 19553824
3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(Z)-(2-methylphenyl)methylideneamino]benzamide
CID 5397578
N-(2,6-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 19553862
N-[(Z)-naphthalen-1-ylmethylideneamino]-2-phenylacetamide
CID 5407611
2-(4-methylanilino)-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide
CID 5393375
N-[(2,4-dichlorophenyl)methylideneamino]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 937151
2-[(2-methylphenyl)methylsulfanyl]-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide
CID 6091619
2-(3,5-dimethylpyrazol-1-yl)-N-[(3-hydroxyphenyl)methylideneamino]acetamide
CID 745941

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-N-[(Z)-naphthalen-1-ylmethylideneamino]propanamide?
The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-N-[(Z)-naphthalen-1-ylmethylideneamino]propanamide (CID 5418862) is 3-(3,5-dimethylpyrazol-1-yl)-N-[(Z)-naphthalen-1-ylmethylideneamino]propanamide.
What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)-N-[(Z)-naphthalen-1-ylmethylideneamino]propanamide?
The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)-N-[(Z)-naphthalen-1-ylmethylideneamino]propanamide is Cc1cc(C)n(CCC(=O)N/N=C\c2cccc3ccccc23)n1.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)-N-[(Z)-naphthalen-1-ylmethylideneamino]propanamide?
The InChIKey is FVCSEUIHABBYMQ-MOSHPQCFSA-N. The full InChI is InChI=1S/C19H20N4O/c1-14-12-15(2)23(22-14)11-10-19(24)21-20-13-17-8-5-7-16-6-3-4-9-18(16)17/h3-9,12-13H,10-11H2,1-2H3,(H,21,24)/b20-13-.
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)-N-[(Z)-naphthalen-1-ylmethylideneamino]propanamide?
3-(3,5-dimethylpyrazol-1-yl)-N-[(Z)-naphthalen-1-ylmethylideneamino]propanamide has a molecular weight of 320.40 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpyrazol-1-yl)-N-[(Z)-naphthalen-1-ylmethylideneamino]propanamide is sourced from PubChem (CID 5418862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).