N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-3-(2-methylpropoxy)propanamide

C19H27N3O4 — CID 55687161

IUPACN-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-3-(2-methylpropoxy)propanamide
SMILESCOc1cccc(Cn2nccc2NC(=O)CCOCC(C)C)c1OC
InChIInChI=1S/C19H27N3O4/c1-14(2)13-26-11-9-18(23)21-17-8-10-20-22(17)12-15-6-5-7-16(24-3)19(15)25-4/h5-8,10,14H,9,11-13H2,1-4H3,(H,21,23)
InChIKeyAFUPIYHYVWBPJT-UHFFFAOYSA-N
MW361.44 g/mol
LogP2.95
Rot. Bonds10

About N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-3-(2-methylpropoxy)propanamide

N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-3-(2-methylpropoxy)propanamide (PubChem CID 55687161) has the molecular formula C19H27N3O4 and a molecular weight of 361.44 g/mol. Its IUPAC name is N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-3-(2-methylpropoxy)propanamide.

Molecular Properties

Compound NameN-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-3-(2-methylpropoxy)propanamide
PubChem CID55687161
Molecular FormulaC19H27N3O4
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC NameN-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-3-(2-methylpropoxy)propanamide
SMILESCOc1cccc(Cn2nccc2NC(=O)CCOCC(C)C)c1OC
InChIInChI=1S/C19H27N3O4/c1-14(2)13-26-11-9-18(23)21-17-8-10-20-22(17)12-15-6-5-7-16(24-3)19(15)25-4/h5-8,10,14H,9,11-13H2,1-4H3,(H,21,23)
InChIKeyAFUPIYHYVWBPJT-UHFFFAOYSA-N
XLogP2.95
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]pentanamide
CID 51248422
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-(4-methylphenoxy)propanamide
CID 51248503
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-3-thiophen-3-ylpropanamide
CID 43033842
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-(2-ethylphenoxy)acetamide
CID 51248455
4-amino-N-[2-[(2,3,4-trimethoxyphenyl)methyl]pyrazol-3-yl]pentanamide
CID 120559352
2-(2,4-dimethoxyphenyl)-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]acetamide
CID 55434840
2-cyclopentyl-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]acetamide
CID 51248440
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-(3-fluorophenyl)acetamide
CID 51248461
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-(4-phenoxyphenoxy)acetamide
CID 43040304
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide
CID 55461115
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-(4-ethoxyphenyl)sulfanylacetamide
CID 43033841
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-3,4,5-triethoxybenzamide
CID 55435038

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-3-(2-methylpropoxy)propanamide?
The IUPAC name of N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-3-(2-methylpropoxy)propanamide (CID 55687161) is N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-3-(2-methylpropoxy)propanamide.
What is the SMILES notation for N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-3-(2-methylpropoxy)propanamide?
The canonical SMILES for N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-3-(2-methylpropoxy)propanamide is COc1cccc(Cn2nccc2NC(=O)CCOCC(C)C)c1OC.
What is the InChIKey of N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-3-(2-methylpropoxy)propanamide?
The InChIKey is AFUPIYHYVWBPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4/c1-14(2)13-26-11-9-18(23)21-17-8-10-20-22(17)12-15-6-5-7-16(24-3)19(15)25-4/h5-8,10,14H,9,11-13H2,1-4H3,(H,21,23).
What are the key properties of N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-3-(2-methylpropoxy)propanamide?
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-3-(2-methylpropoxy)propanamide has a molecular weight of 361.44 g/mol, XLogP of 2.95, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-3-(2-methylpropoxy)propanamide is sourced from PubChem (CID 55687161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).