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

C16H20N4OS — CID 3356012

IUPAC3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-methylsulfanylphenyl)methylideneamino]propanamide
SMILESCSc1ccc(C=NNC(=O)CCc2c(C)n[nH]c2C)cc1
InChIInChI=1S/C16H20N4OS/c1-11-15(12(2)19-18-11)8-9-16(21)20-17-10-13-4-6-14(22-3)7-5-13/h4-7,10H,8-9H2,1-3H3,(H,18,19)(H,20,21)
InChIKeyWOETXFLZSRLTPW-UHFFFAOYSA-N
MW316.43 g/mol
LogP2.83
Rot. Bonds6

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

3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-methylsulfanylphenyl)methylideneamino]propanamide (PubChem CID 3356012) has the molecular formula C16H20N4OS and a molecular weight of 316.43 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-methylsulfanylphenyl)methylideneamino]propanamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-methylsulfanylphenyl)methylideneamino]propanamide
PubChem CID3356012
Molecular FormulaC16H20N4OS
Molecular Weight316.43 g/mol
Exact Mass316.14
IUPAC Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-methylsulfanylphenyl)methylideneamino]propanamide
SMILESCSc1ccc(C=NNC(=O)CCc2c(C)n[nH]c2C)cc1
InChIInChI=1S/C16H20N4OS/c1-11-15(12(2)19-18-11)8-9-16(21)20-17-10-13-4-6-14(22-3)7-5-13/h4-7,10H,8-9H2,1-3H3,(H,18,19)(H,20,21)
InChIKeyWOETXFLZSRLTPW-UHFFFAOYSA-N
XLogP2.83
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.83
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'}

Analyze 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-methylsulfanylphenyl)methylideneamino]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
CID 5392869
N,N'-bis[(4-methylsulfanylphenyl)methylideneamino]pentanediamide
CID 4990030
N-[(E)-(3,5-dimethyl-2-phenyl-1H-pyrazol-2-ium-4-yl)methylideneamino]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
CID 135850183
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]propanamide
CID 940267
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]propanamide
CID 135641898
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]propanamide
CID 847669
N-(4-fluorophenyl)-N'-[(4-methylsulfanylphenyl)methylideneamino]propanediamide
CID 4218868
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(Z)-1-(4-methylphenyl)ethylideneamino]propanamide
CID 5392898
N-[(E)-(4-chlorophenyl)methylideneamino]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
CID 110526446
N,N'-bis[(Z)-(4-fluorophenyl)methylideneamino]decanediamide
CID 6277081
N-[(E)-(4-chlorophenyl)methylideneamino]-2-(4-methylsulfanylphenyl)acetamide
CID 139082262
2-(4-methoxyphenoxy)-N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]acetamide
CID 5426289

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-methylsulfanylphenyl)methylideneamino]propanamide?
The IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-methylsulfanylphenyl)methylideneamino]propanamide (CID 3356012) is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-methylsulfanylphenyl)methylideneamino]propanamide.
What is the SMILES notation for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-methylsulfanylphenyl)methylideneamino]propanamide?
The canonical SMILES for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-methylsulfanylphenyl)methylideneamino]propanamide is CSc1ccc(C=NNC(=O)CCc2c(C)n[nH]c2C)cc1.
What is the InChIKey of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-methylsulfanylphenyl)methylideneamino]propanamide?
The InChIKey is WOETXFLZSRLTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4OS/c1-11-15(12(2)19-18-11)8-9-16(21)20-17-10-13-4-6-14(22-3)7-5-13/h4-7,10H,8-9H2,1-3H3,(H,18,19)(H,20,21).
What are the key properties of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-methylsulfanylphenyl)methylideneamino]propanamide?
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-methylsulfanylphenyl)methylideneamino]propanamide has a molecular weight of 316.43 g/mol, XLogP of 2.83, 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-[(4-methylsulfanylphenyl)methylideneamino]propanamide is sourced from PubChem (CID 3356012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).