N-[3-(2,5-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-2-methylpropanamide

C16H21N3O3 — CID 42685758

IUPACN-[3-(2,5-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-2-methylpropanamide
SMILESCOc1ccc(OC)c(-c2n[nH]c(C)c2NC(=O)C(C)C)c1
InChIInChI=1S/C16H21N3O3/c1-9(2)16(20)17-14-10(3)18-19-15(14)12-8-11(21-4)6-7-13(12)22-5/h6-9H,1-5H3,(H,17,20)(H,18,19)
InChIKeyBAVGOWDDRZATEK-UHFFFAOYSA-N
MW303.36 g/mol
LogP3.00
Rot. Bonds5

About N-[3-(2,5-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-2-methylpropanamide

N-[3-(2,5-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-2-methylpropanamide (PubChem CID 42685758) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is N-[3-(2,5-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-(2,5-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-2-methylpropanamide
PubChem CID42685758
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC NameN-[3-(2,5-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-2-methylpropanamide
SMILESCOc1ccc(OC)c(-c2n[nH]c(C)c2NC(=O)C(C)C)c1
InChIInChI=1S/C16H21N3O3/c1-9(2)16(20)17-14-10(3)18-19-15(14)12-8-11(21-4)6-7-13(12)22-5/h6-9H,1-5H3,(H,17,20)(H,18,19)
InChIKeyBAVGOWDDRZATEK-UHFFFAOYSA-N
XLogP3.00
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-(2,5-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-2-methylpropanamide 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-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methoxybenzamide
CID 894645
N-[3-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]cyclohexanecarboxamide
CID 42685604
N-[5-ethyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]cyclohexanecarboxamide
CID 42686888
N-[5-ethyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]cyclopentanecarboxamide
CID 42686893
N-[5-cyclopropyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]-2,2-dimethylpropanamide
CID 42686906
5-(2,5-dimethoxyphenyl)-3-phenyl-1H-pyrazole
CID 71602565
N-[3-(2,4-dimethoxyphenyl)-5-ethyl-1H-pyrazol-4-yl]acetamide
CID 42686789
N-[5-ethyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]propanamide
CID 42686882
N-[3-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]cyclopentanecarboxamide
CID 42685612
N-[5-cyclopropyl-3-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]acetamide
CID 42685652
N-[3-(2,5-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-2,2-dimethylpropanamide
CID 42685753
N~1~-[3-(2,5-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-1-cyclopropanecarboxamide
CID 42685759

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,5-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-2-methylpropanamide?
The IUPAC name of N-[3-(2,5-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-2-methylpropanamide (CID 42685758) is N-[3-(2,5-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-2-methylpropanamide.
What is the SMILES notation for N-[3-(2,5-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-2-methylpropanamide?
The canonical SMILES for N-[3-(2,5-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-2-methylpropanamide is COc1ccc(OC)c(-c2n[nH]c(C)c2NC(=O)C(C)C)c1.
What is the InChIKey of N-[3-(2,5-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-2-methylpropanamide?
The InChIKey is BAVGOWDDRZATEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-9(2)16(20)17-14-10(3)18-19-15(14)12-8-11(21-4)6-7-13(12)22-5/h6-9H,1-5H3,(H,17,20)(H,18,19).
What are the key properties of N-[3-(2,5-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-2-methylpropanamide?
N-[3-(2,5-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-2-methylpropanamide has a molecular weight of 303.36 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,5-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-2-methylpropanamide is sourced from PubChem (CID 42685758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).