3-(3,5-dimethylpyrazol-1-yl)-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide

C19H20N4O2 — CID 917404

IUPAC3-(3,5-dimethylpyrazol-1-yl)-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide
SMILESCc1cc(C)n(CCC(=O)NN=Cc2c(O)ccc3ccccc23)n1
InChIInChI=1S/C19H20N4O2/c1-13-11-14(2)23(22-13)10-9-19(25)21-20-12-17-16-6-4-3-5-15(16)7-8-18(17)24/h3-8,11-12,24H,9-10H2,1-2H3,(H,21,25)
InChIKeyIOCGUKOUGPGNMV-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.90
Rot. Bonds5

About 3-(3,5-dimethylpyrazol-1-yl)-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide

3-(3,5-dimethylpyrazol-1-yl)-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide (PubChem CID 917404) has the molecular formula C19H20N4O2 and a molecular weight of 336.39 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide
PubChem CID917404
Molecular FormulaC19H20N4O2
Molecular Weight336.39 g/mol
Exact Mass336.16
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide
SMILESCc1cc(C)n(CCC(=O)NN=Cc2c(O)ccc3ccccc23)n1
InChIInChI=1S/C19H20N4O2/c1-13-11-14(2)23(22-13)10-9-19(25)21-20-12-17-16-6-4-3-5-15(16)7-8-18(17)24/h3-8,11-12,24H,9-10H2,1-2H3,(H,21,25)
InChIKeyIOCGUKOUGPGNMV-UHFFFAOYSA-N
XLogP2.90
TPSA79.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide?
The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide (CID 917404) is 3-(3,5-dimethylpyrazol-1-yl)-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide.
What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide?
The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide is Cc1cc(C)n(CCC(=O)NN=Cc2c(O)ccc3ccccc23)n1.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide?
The InChIKey is IOCGUKOUGPGNMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-13-11-14(2)23(22-13)10-9-19(25)21-20-12-17-16-6-4-3-5-15(16)7-8-18(17)24/h3-8,11-12,24H,9-10H2,1-2H3,(H,21,25).
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide?
3-(3,5-dimethylpyrazol-1-yl)-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide has a molecular weight of 336.39 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpyrazol-1-yl)-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide is sourced from PubChem (CID 917404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).