3,4-dimethoxy-N-[1-[1-(2-methoxyethylamino)-2-methyl-1-oxopropan-2-yl]pyrazol-4-yl]benzamide

C19H26N4O5 — CID 71448798

IUPAC3,4-dimethoxy-N-[1-[1-(2-methoxyethylamino)-2-methyl-1-oxopropan-2-yl]pyrazol-4-yl]benzamide
SMILESCOCCNC(=O)C(C)(C)n1cc(NC(=O)c2ccc(OC)c(OC)c2)cn1
InChIInChI=1S/C19H26N4O5/c1-19(2,18(25)20-8-9-26-3)23-12-14(11-21-23)22-17(24)13-6-7-15(27-4)16(10-13)28-5/h6-7,10-12H,8-9H2,1-5H3,(H,20,25)(H,22,24)
InChIKeyMLWFCJGNUMOKQE-UHFFFAOYSA-N
MW390.44 g/mol
LogP1.65
Rot. Bonds9

About 3,4-dimethoxy-N-[1-[1-(2-methoxyethylamino)-2-methyl-1-oxopropan-2-yl]pyrazol-4-yl]benzamide

3,4-dimethoxy-N-[1-[1-(2-methoxyethylamino)-2-methyl-1-oxopropan-2-yl]pyrazol-4-yl]benzamide (PubChem CID 71448798) has the molecular formula C19H26N4O5 and a molecular weight of 390.44 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[1-[1-(2-methoxyethylamino)-2-methyl-1-oxopropan-2-yl]pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[1-[1-(2-methoxyethylamino)-2-methyl-1-oxopropan-2-yl]pyrazol-4-yl]benzamide
PubChem CID71448798
Molecular FormulaC19H26N4O5
Molecular Weight390.44 g/mol
Exact Mass390.19
IUPAC Name3,4-dimethoxy-N-[1-[1-(2-methoxyethylamino)-2-methyl-1-oxopropan-2-yl]pyrazol-4-yl]benzamide
SMILESCOCCNC(=O)C(C)(C)n1cc(NC(=O)c2ccc(OC)c(OC)c2)cn1
InChIInChI=1S/C19H26N4O5/c1-19(2,18(25)20-8-9-26-3)23-12-14(11-21-23)22-17(24)13-6-7-15(27-4)16(10-13)28-5/h6-7,10-12H,8-9H2,1-5H3,(H,20,25)(H,22,24)
InChIKeyMLWFCJGNUMOKQE-UHFFFAOYSA-N
XLogP1.65
TPSA103.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3,4-dimethoxy-N-[1-[1-(2-methoxyethylamino)-2-methyl-1-oxopropan-2-yl]pyrazol-4-yl]benzamide 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-[1-[1-(2-methoxyethylamino)-2-methyl-1-oxopropan-2-yl]pyrazol-4-yl]-1,3-benzodioxole-5-carboxamide
CID 71448790
2-[4-(3,4-dimethoxyphenyl)pyrazol-1-yl]-N-(2-methoxyethyl)-2-methylpropanamide
CID 71728692
N-(1-tert-butylpyrazol-4-yl)-3-methoxy-4-methylbenzamide
CID 86860510
N-(1-tert-butylpyrazol-4-yl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 86860467
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-3,4-dimethoxybenzamide
CID 1244331
2-[4-[(3-ethoxy-4-propoxybenzoyl)amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120697248
2-[2-methoxy-4-(2-methoxyethylcarbamoyl)phenoxy]pyrimidine-5-carboxamide
CID 142992517
4-N-(3,4-dimethoxyphenyl)-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide
CID 109045361
3,4-dimethoxy-N-[1-[(2,3,4,6-tetrafluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19408001
2-[4-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696737
2-N-(3,4-dimethoxyphenyl)-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109082596
N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-3,4-dimethoxybenzamide
CID 15994045

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[1-[1-(2-methoxyethylamino)-2-methyl-1-oxopropan-2-yl]pyrazol-4-yl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[1-[1-(2-methoxyethylamino)-2-methyl-1-oxopropan-2-yl]pyrazol-4-yl]benzamide (CID 71448798) is 3,4-dimethoxy-N-[1-[1-(2-methoxyethylamino)-2-methyl-1-oxopropan-2-yl]pyrazol-4-yl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[1-[1-(2-methoxyethylamino)-2-methyl-1-oxopropan-2-yl]pyrazol-4-yl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[1-[1-(2-methoxyethylamino)-2-methyl-1-oxopropan-2-yl]pyrazol-4-yl]benzamide is COCCNC(=O)C(C)(C)n1cc(NC(=O)c2ccc(OC)c(OC)c2)cn1.
What is the InChIKey of 3,4-dimethoxy-N-[1-[1-(2-methoxyethylamino)-2-methyl-1-oxopropan-2-yl]pyrazol-4-yl]benzamide?
The InChIKey is MLWFCJGNUMOKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O5/c1-19(2,18(25)20-8-9-26-3)23-12-14(11-21-23)22-17(24)13-6-7-15(27-4)16(10-13)28-5/h6-7,10-12H,8-9H2,1-5H3,(H,20,25)(H,22,24).
What are the key properties of 3,4-dimethoxy-N-[1-[1-(2-methoxyethylamino)-2-methyl-1-oxopropan-2-yl]pyrazol-4-yl]benzamide?
3,4-dimethoxy-N-[1-[1-(2-methoxyethylamino)-2-methyl-1-oxopropan-2-yl]pyrazol-4-yl]benzamide has a molecular weight of 390.44 g/mol, XLogP of 1.65, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[1-[1-(2-methoxyethylamino)-2-methyl-1-oxopropan-2-yl]pyrazol-4-yl]benzamide is sourced from PubChem (CID 71448798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).