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

C18H25N3O4 — CID 42685728

IUPACN-[3-(3,4-dimethoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1c(-c2ccc(OC)c(OC)c2)n[nH]c1CC(C)C
InChIInChI=1S/C18H25N3O4/c1-11(2)8-13-18(19-16(22)10-23-3)17(21-20-13)12-6-7-14(24-4)15(9-12)25-5/h6-7,9,11H,8,10H2,1-5H3,(H,19,22)(H,20,21)
InChIKeyJYLQIKHGWNZXMO-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.88
Rot. Bonds8

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

N-[3-(3,4-dimethoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]-2-methoxyacetamide (PubChem CID 42685728) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[3-(3,4-dimethoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[3-(3,4-dimethoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]-2-methoxyacetamide
PubChem CID42685728
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC NameN-[3-(3,4-dimethoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1c(-c2ccc(OC)c(OC)c2)n[nH]c1CC(C)C
InChIInChI=1S/C18H25N3O4/c1-11(2)8-13-18(19-16(22)10-23-3)17(21-20-13)12-6-7-14(24-4)15(9-12)25-5/h6-7,9,11H,8,10H2,1-5H3,(H,19,22)(H,20,21)
InChIKeyJYLQIKHGWNZXMO-UHFFFAOYSA-N
XLogP2.88
TPSA85.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopentyl-N-[3-(3,4-dimethoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]acetamide
CID 42685731
N-[3-(3,4-dimethoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]-3-methoxybenzamide
CID 42685722
1-[3-(3,4-dimethoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 42874292
N-[3-(3,4-dimethoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]-1,3-benzodioxole-5-carboxamide
CID 42873998
N-[3-(3,4-dimethoxyphenyl)-5-ethyl-1H-pyrazol-4-yl]-2-methoxybenzamide
CID 42685636
N-[3-(3,4-dimethoxyphenyl)-5-propyl-1H-pyrazol-4-yl]-2-thiophen-2-ylacetamide
CID 42685691
2-(3-methoxyphenyl)-N-[3-(2-methoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]acetamide
CID 83280532
N-[5-ethyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]-3-methylbutanamide
CID 42686897
N-[3-(4-chlorophenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]-2-methylpropanamide
CID 42874047
3-chloro-N-[3-(3-methoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]benzamide
CID 42686982
(2R)-N-[3-(2-methoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]-2-phenylbutanamide
CID 93005194
N-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 21262997

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dimethoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]-2-methoxyacetamide?
The IUPAC name of N-[3-(3,4-dimethoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]-2-methoxyacetamide (CID 42685728) is N-[3-(3,4-dimethoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]-2-methoxyacetamide.
What is the SMILES notation for N-[3-(3,4-dimethoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]-2-methoxyacetamide?
The canonical SMILES for N-[3-(3,4-dimethoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]-2-methoxyacetamide is COCC(=O)Nc1c(-c2ccc(OC)c(OC)c2)n[nH]c1CC(C)C.
What is the InChIKey of N-[3-(3,4-dimethoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]-2-methoxyacetamide?
The InChIKey is JYLQIKHGWNZXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-11(2)8-13-18(19-16(22)10-23-3)17(21-20-13)12-6-7-14(24-4)15(9-12)25-5/h6-7,9,11H,8,10H2,1-5H3,(H,19,22)(H,20,21).
What are the key properties of N-[3-(3,4-dimethoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]-2-methoxyacetamide?
N-[3-(3,4-dimethoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]-2-methoxyacetamide has a molecular weight of 347.42 g/mol, XLogP of 2.88, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-dimethoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]-2-methoxyacetamide is sourced from PubChem (CID 42685728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).