N-(4-ethoxyphenyl)-3-(3,4,5-trimethylpyrazol-1-yl)butanamide

C18H25N3O2 — CID 15943651

IUPACN-(4-ethoxyphenyl)-3-(3,4,5-trimethylpyrazol-1-yl)butanamide
SMILESCCOc1ccc(NC(=O)CC(C)n2nc(C)c(C)c2C)cc1
InChIInChI=1S/C18H25N3O2/c1-6-23-17-9-7-16(8-10-17)19-18(22)11-12(2)21-15(5)13(3)14(4)20-21/h7-10,12H,6,11H2,1-5H3,(H,19,22)
InChIKeyTUJCEVXKMMLHKH-UHFFFAOYSA-N
MW315.42 g/mol
LogP3.80
Rot. Bonds6

About N-(4-ethoxyphenyl)-3-(3,4,5-trimethylpyrazol-1-yl)butanamide

N-(4-ethoxyphenyl)-3-(3,4,5-trimethylpyrazol-1-yl)butanamide (PubChem CID 15943651) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-3-(3,4,5-trimethylpyrazol-1-yl)butanamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-3-(3,4,5-trimethylpyrazol-1-yl)butanamide
PubChem CID15943651
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC NameN-(4-ethoxyphenyl)-3-(3,4,5-trimethylpyrazol-1-yl)butanamide
SMILESCCOc1ccc(NC(=O)CC(C)n2nc(C)c(C)c2C)cc1
InChIInChI=1S/C18H25N3O2/c1-6-23-17-9-7-16(8-10-17)19-18(22)11-12(2)21-15(5)13(3)14(4)20-21/h7-10,12H,6,11H2,1-5H3,(H,19,22)
InChIKeyTUJCEVXKMMLHKH-UHFFFAOYSA-N
XLogP3.80
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 850331
2-chloro-N-[2-(1,3-dimethyl-5-phenoxy-1H-pyrazol-4-yl)ethyl]acetamide
CID 3614495
N-{4-[2-hydroxy-3-(3,4,5-trimethyl-1H-pyrazol-1-yl)propoxy]phenyl}acetamide
CID 5298752
3-(3,5-dimethylpyrazol-1-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]propanamide
CID 6882781
N'-[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-N-(4-methoxyphenyl)butanediamide
CID 6888069
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3,5-dimethyl-1H-pyrazol-1-yl)propanamide
CID 19553861
Cfm-1571
CID 9844347
4-(3,5-dimethyl-1H-pyrazol-1-yl)-N-(4-ethoxyphenyl)-4-oxobutanamide
CID 2139744
1-benzyl-5-chloro-N-(4-ethoxyphenyl)-3-methylpyrazole-4-carboxamide
CID 2489518
N-{4-[3-(4-acetyl-3,5-dimethyl-1H-pyrazol-1-yl)-2-hydroxypropoxy]phenyl}acetamide
CID 2962056
3-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)propanamide
CID 3245018
1-(tert-butyl)-4-[({[(4-methoxyanilino)carbonyl]oxy}imino)methyl]-3,5-dimethyl-1H-pyrazole
CID 9583471

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-3-(3,4,5-trimethylpyrazol-1-yl)butanamide?
The IUPAC name of N-(4-ethoxyphenyl)-3-(3,4,5-trimethylpyrazol-1-yl)butanamide (CID 15943651) is N-(4-ethoxyphenyl)-3-(3,4,5-trimethylpyrazol-1-yl)butanamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-3-(3,4,5-trimethylpyrazol-1-yl)butanamide?
The canonical SMILES for N-(4-ethoxyphenyl)-3-(3,4,5-trimethylpyrazol-1-yl)butanamide is CCOc1ccc(NC(=O)CC(C)n2nc(C)c(C)c2C)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-3-(3,4,5-trimethylpyrazol-1-yl)butanamide?
The InChIKey is TUJCEVXKMMLHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-6-23-17-9-7-16(8-10-17)19-18(22)11-12(2)21-15(5)13(3)14(4)20-21/h7-10,12H,6,11H2,1-5H3,(H,19,22).
What are the key properties of N-(4-ethoxyphenyl)-3-(3,4,5-trimethylpyrazol-1-yl)butanamide?
N-(4-ethoxyphenyl)-3-(3,4,5-trimethylpyrazol-1-yl)butanamide has a molecular weight of 315.42 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-3-(3,4,5-trimethylpyrazol-1-yl)butanamide is sourced from PubChem (CID 15943651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).