3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(E)-(3-methoxyphenyl)methylideneamino]propanamide

C16H20N4O2 — CID 5342804

IUPAC3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(E)-(3-methoxyphenyl)methylideneamino]propanamide
SMILESCOc1cccc(/C=N/NC(=O)CCc2c(C)n[nH]c2C)c1
InChIInChI=1S/C16H20N4O2/c1-11-15(12(2)19-18-11)7-8-16(21)20-17-10-13-5-4-6-14(9-13)22-3/h4-6,9-10H,7-8H2,1-3H3,(H,18,19)(H,20,21)/b17-10+
InChIKeyIGNZAADFPDLUMF-LICLKQGHSA-N
MW300.36 g/mol
LogP2.12
Rot. Bonds6

About 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(E)-(3-methoxyphenyl)methylideneamino]propanamide

3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(E)-(3-methoxyphenyl)methylideneamino]propanamide (PubChem CID 5342804) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(E)-(3-methoxyphenyl)methylideneamino]propanamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(E)-(3-methoxyphenyl)methylideneamino]propanamide
PubChem CID5342804
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(E)-(3-methoxyphenyl)methylideneamino]propanamide
SMILESCOc1cccc(/C=N/NC(=O)CCc2c(C)n[nH]c2C)c1
InChIInChI=1S/C16H20N4O2/c1-11-15(12(2)19-18-11)7-8-16(21)20-17-10-13-5-4-6-14(9-13)22-3/h4-6,9-10H,7-8H2,1-3H3,(H,18,19)(H,20,21)/b17-10+
InChIKeyIGNZAADFPDLUMF-LICLKQGHSA-N
XLogP2.12
TPSA79.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.12
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(E)-(3-methoxyphenyl)methylideneamino]propanamide?
The IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(E)-(3-methoxyphenyl)methylideneamino]propanamide (CID 5342804) is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(E)-(3-methoxyphenyl)methylideneamino]propanamide.
What is the SMILES notation for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(E)-(3-methoxyphenyl)methylideneamino]propanamide?
The canonical SMILES for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(E)-(3-methoxyphenyl)methylideneamino]propanamide is COc1cccc(/C=N/NC(=O)CCc2c(C)n[nH]c2C)c1.
What is the InChIKey of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(E)-(3-methoxyphenyl)methylideneamino]propanamide?
The InChIKey is IGNZAADFPDLUMF-LICLKQGHSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-11-15(12(2)19-18-11)7-8-16(21)20-17-10-13-5-4-6-14(9-13)22-3/h4-6,9-10H,7-8H2,1-3H3,(H,18,19)(H,20,21)/b17-10+.
What are the key properties of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(E)-(3-methoxyphenyl)methylideneamino]propanamide?
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(E)-(3-methoxyphenyl)methylideneamino]propanamide has a molecular weight of 300.36 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(E)-(3-methoxyphenyl)methylideneamino]propanamide is sourced from PubChem (CID 5342804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).