N-(1-tert-butylpyrazol-4-yl)-3-(4-ethoxyphenyl)propanamide

C18H25N3O2 — CID 86860430

IUPACN-(1-tert-butylpyrazol-4-yl)-3-(4-ethoxyphenyl)propanamide
SMILESCCOc1ccc(CCC(=O)Nc2cnn(C(C)(C)C)c2)cc1
InChIInChI=1S/C18H25N3O2/c1-5-23-16-9-6-14(7-10-16)8-11-17(22)20-15-12-19-21(13-15)18(2,3)4/h6-7,9-10,12-13H,5,8,11H2,1-4H3,(H,20,22)
InChIKeyZMGRWRSARSPHRA-UHFFFAOYSA-N
MW315.42 g/mol
LogP3.61
Rot. Bonds6

About N-(1-tert-butylpyrazol-4-yl)-3-(4-ethoxyphenyl)propanamide

N-(1-tert-butylpyrazol-4-yl)-3-(4-ethoxyphenyl)propanamide (PubChem CID 86860430) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-(1-tert-butylpyrazol-4-yl)-3-(4-ethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(1-tert-butylpyrazol-4-yl)-3-(4-ethoxyphenyl)propanamide
PubChem CID86860430
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC NameN-(1-tert-butylpyrazol-4-yl)-3-(4-ethoxyphenyl)propanamide
SMILESCCOc1ccc(CCC(=O)Nc2cnn(C(C)(C)C)c2)cc1
InChIInChI=1S/C18H25N3O2/c1-5-23-16-9-6-14(7-10-16)8-11-17(22)20-15-12-19-21(13-15)18(2,3)4/h6-7,9-10,12-13H,5,8,11H2,1-4H3,(H,20,22)
InChIKeyZMGRWRSARSPHRA-UHFFFAOYSA-N
XLogP3.61
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 ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-tert-butylpyrazol-4-yl)pentanamide
CID 86860471
N-(3,4-dichlorophenyl)-3-(4-ethoxyphenyl)propanamide
CID 19226004
N-[4-(diethylamino)phenyl]-3-(4-ethoxyphenyl)propanamide
CID 19226078
3-(4-ethoxyphenyl)-N-(4-propan-2-ylphenyl)propanamide
CID 19225956
N-(3-chloro-4-methylphenyl)-3-(4-ethoxyphenyl)propanamide
CID 19226053
N-(4-ethoxyphenyl)-4-[3-(4-fluorophenyl)propanoylamino]benzamide
CID 18279791
3-(4-ethoxyphenyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 47378490
N-(1-tert-butylpyrazol-4-yl)-2-(1-methylpyrazol-4-yl)acetamide
CID 138992861
3-(4-ethoxyphenyl)-N'-methylpropanehydrazide
CID 116846343
4-ethoxy-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide
CID 19400060
2-[4-[3-[4-(trifluoromethoxy)phenyl]propanoylamino]pyrazol-1-yl]acetic acid
CID 167748434
N,N'-bis(4-ethoxyphenyl)nonanediamide
CID 4507995

Frequently Asked Questions

What is the IUPAC name of N-(1-tert-butylpyrazol-4-yl)-3-(4-ethoxyphenyl)propanamide?
The IUPAC name of N-(1-tert-butylpyrazol-4-yl)-3-(4-ethoxyphenyl)propanamide (CID 86860430) is N-(1-tert-butylpyrazol-4-yl)-3-(4-ethoxyphenyl)propanamide.
What is the SMILES notation for N-(1-tert-butylpyrazol-4-yl)-3-(4-ethoxyphenyl)propanamide?
The canonical SMILES for N-(1-tert-butylpyrazol-4-yl)-3-(4-ethoxyphenyl)propanamide is CCOc1ccc(CCC(=O)Nc2cnn(C(C)(C)C)c2)cc1.
What is the InChIKey of N-(1-tert-butylpyrazol-4-yl)-3-(4-ethoxyphenyl)propanamide?
The InChIKey is ZMGRWRSARSPHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-5-23-16-9-6-14(7-10-16)8-11-17(22)20-15-12-19-21(13-15)18(2,3)4/h6-7,9-10,12-13H,5,8,11H2,1-4H3,(H,20,22).
What are the key properties of N-(1-tert-butylpyrazol-4-yl)-3-(4-ethoxyphenyl)propanamide?
N-(1-tert-butylpyrazol-4-yl)-3-(4-ethoxyphenyl)propanamide has a molecular weight of 315.42 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-tert-butylpyrazol-4-yl)-3-(4-ethoxyphenyl)propanamide is sourced from PubChem (CID 86860430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).