5-chloro-N-[(E)-(1-ethyl-5-methylpyrazol-4-yl)methylideneamino]-2-methoxybenzamide

C15H17ClN4O2 — CID 6873338

IUPAC5-chloro-N-[(E)-(1-ethyl-5-methylpyrazol-4-yl)methylideneamino]-2-methoxybenzamide
SMILESCCn1ncc(/C=N/NC(=O)c2cc(Cl)ccc2OC)c1C
InChIInChI=1S/C15H17ClN4O2/c1-4-20-10(2)11(9-18-20)8-17-19-15(21)13-7-12(16)5-6-14(13)22-3/h5-9H,4H2,1-3H3,(H,19,21)/b17-8+
InChIKeyQPDFTLPGGXEHDG-CAOOACKPSA-N
MW320.78 g/mol
LogP2.64
Rot. Bonds5

About 5-chloro-N-[(E)-(1-ethyl-5-methylpyrazol-4-yl)methylideneamino]-2-methoxybenzamide

5-chloro-N-[(E)-(1-ethyl-5-methylpyrazol-4-yl)methylideneamino]-2-methoxybenzamide (PubChem CID 6873338) has the molecular formula C15H17ClN4O2 and a molecular weight of 320.78 g/mol. Its IUPAC name is 5-chloro-N-[(E)-(1-ethyl-5-methylpyrazol-4-yl)methylideneamino]-2-methoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[(E)-(1-ethyl-5-methylpyrazol-4-yl)methylideneamino]-2-methoxybenzamide
PubChem CID6873338
Molecular FormulaC15H17ClN4O2
Molecular Weight320.78 g/mol
Exact Mass320.10
IUPAC Name5-chloro-N-[(E)-(1-ethyl-5-methylpyrazol-4-yl)methylideneamino]-2-methoxybenzamide
SMILESCCn1ncc(/C=N/NC(=O)c2cc(Cl)ccc2OC)c1C
InChIInChI=1S/C15H17ClN4O2/c1-4-20-10(2)11(9-18-20)8-17-19-15(21)13-7-12(16)5-6-14(13)22-3/h5-9H,4H2,1-3H3,(H,19,21)/b17-8+
InChIKeyQPDFTLPGGXEHDG-CAOOACKPSA-N
XLogP2.64
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-chloro-N-[(E)-(1-ethyl-5-methylpyrazol-4-yl)methylideneamino]-2-methoxybenzamide 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

4-(4-Chloro-2-{5-[(Trimethyl-1h-Pyrazol-4-Yl)methyl]-1,3,4-Oxadiazol-2-Yl}phenoxy)piperidine
CID 118797271
5-chloro-N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-2-methoxybenzamide
CID 841893
1-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]-5-methyl-N-piperidin-1-ylpyrazole-3-carboxamide
CID 44448443
1-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]-5-methyl-N-morpholin-4-ylpyrazole-3-carboxamide
CID 44448444
1-[[5-Chloro-2-(2-methylpropoxy)phenyl]methyl]-5-methylpyrazole-3-carboxamide
CID 44448446
1-({5-Chloro-2-[(phenylmethyl)oxy]phenyl}methyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 44448636
(5-chloro-2-methoxyphenyl)(3,5-dimethyl-1H-pyrazol-1-yl)methanone
CID 887689
4-Chloro-N'-[(E)-{3-[(4-chloro-1H-pyrazol-1-YL)methyl]-4-methoxyphenyl}methylidene]benzohydrazide
CID 20846834
5-chloro-N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-2-methoxybenzamide
CID 887885
5-chloro-N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-methoxybenzamide
CID 842012
N-[3-(4-bromo-3-methyl-1H-pyrazol-1-yl)propyl]-2-methoxybenzamide
CID 2225516
5-chloro-2-methoxy-N-(1H-pyrazol-4-yl)benzamide
CID 43429271

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(E)-(1-ethyl-5-methylpyrazol-4-yl)methylideneamino]-2-methoxybenzamide?
The IUPAC name of 5-chloro-N-[(E)-(1-ethyl-5-methylpyrazol-4-yl)methylideneamino]-2-methoxybenzamide (CID 6873338) is 5-chloro-N-[(E)-(1-ethyl-5-methylpyrazol-4-yl)methylideneamino]-2-methoxybenzamide.
What is the SMILES notation for 5-chloro-N-[(E)-(1-ethyl-5-methylpyrazol-4-yl)methylideneamino]-2-methoxybenzamide?
The canonical SMILES for 5-chloro-N-[(E)-(1-ethyl-5-methylpyrazol-4-yl)methylideneamino]-2-methoxybenzamide is CCn1ncc(/C=N/NC(=O)c2cc(Cl)ccc2OC)c1C.
What is the InChIKey of 5-chloro-N-[(E)-(1-ethyl-5-methylpyrazol-4-yl)methylideneamino]-2-methoxybenzamide?
The InChIKey is QPDFTLPGGXEHDG-CAOOACKPSA-N. The full InChI is InChI=1S/C15H17ClN4O2/c1-4-20-10(2)11(9-18-20)8-17-19-15(21)13-7-12(16)5-6-14(13)22-3/h5-9H,4H2,1-3H3,(H,19,21)/b17-8+.
What are the key properties of 5-chloro-N-[(E)-(1-ethyl-5-methylpyrazol-4-yl)methylideneamino]-2-methoxybenzamide?
5-chloro-N-[(E)-(1-ethyl-5-methylpyrazol-4-yl)methylideneamino]-2-methoxybenzamide has a molecular weight of 320.78 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(E)-(1-ethyl-5-methylpyrazol-4-yl)methylideneamino]-2-methoxybenzamide is sourced from PubChem (CID 6873338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).