3-(3,5-dimethylpyrazol-1-yl)-N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]propanamide

C20H28FN3O — CID 55751308

IUPAC3-(3,5-dimethylpyrazol-1-yl)-N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]propanamide
SMILESCc1cc(C)n(CCC(=O)NC(CC(C)(C)C)c2ccc(F)cc2)n1
InChIInChI=1S/C20H28FN3O/c1-14-12-15(2)24(23-14)11-10-19(25)22-18(13-20(3,4)5)16-6-8-17(21)9-7-16/h6-9,12,18H,10-11,13H2,1-5H3,(H,22,25)
InChIKeyUXEJVSGJPOFEFJ-UHFFFAOYSA-N
MW345.46 g/mol
LogP4.32
Rot. Bonds6

About 3-(3,5-dimethylpyrazol-1-yl)-N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]propanamide

3-(3,5-dimethylpyrazol-1-yl)-N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]propanamide (PubChem CID 55751308) has the molecular formula C20H28FN3O and a molecular weight of 345.46 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)-N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]propanamide.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)-N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]propanamide
PubChem CID55751308
Molecular FormulaC20H28FN3O
Molecular Weight345.46 g/mol
Exact Mass345.22
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)-N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]propanamide
SMILESCc1cc(C)n(CCC(=O)NC(CC(C)(C)C)c2ccc(F)cc2)n1
InChIInChI=1S/C20H28FN3O/c1-14-12-15(2)24(23-14)11-10-19(25)22-18(13-20(3,4)5)16-6-8-17(21)9-7-16/h6-9,12,18H,10-11,13H2,1-5H3,(H,22,25)
InChIKeyUXEJVSGJPOFEFJ-UHFFFAOYSA-N
XLogP4.32
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxy-1-phenylethyl)propanamide
CID 63184682
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-(4-fluorophenyl)propan-1-amine
CID 115706688
N-[(1R)-1-(4-fluorophenyl)-3,3-dimethylbutyl]-2-(tetrazol-1-yl)acetamide
CID 51954474
tert-butyl (2R)-2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]propanoate
CID 80999522
2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-3-hydroxypropanoic acid
CID 43357762
methyl 2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]propanoate
CID 60727791
3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]propanamide
CID 55798701
2-(cyclopropylmethylamino)-N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]acetamide;hydrochloride
CID 119724732
N-[(S)-cyclopropyl(phenyl)methyl]-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 31407290
3-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxypropyl)propanamide
CID 43418241
N-[3-[[1-(4-fluorophenyl)-3,3-dimethylbutyl]amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 47044236
N-[2-(difluoromethoxy)-4-fluorophenyl]-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 19557669

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]propanamide?
The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]propanamide (CID 55751308) is 3-(3,5-dimethylpyrazol-1-yl)-N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]propanamide.
What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)-N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]propanamide?
The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)-N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]propanamide is Cc1cc(C)n(CCC(=O)NC(CC(C)(C)C)c2ccc(F)cc2)n1.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)-N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]propanamide?
The InChIKey is UXEJVSGJPOFEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28FN3O/c1-14-12-15(2)24(23-14)11-10-19(25)22-18(13-20(3,4)5)16-6-8-17(21)9-7-16/h6-9,12,18H,10-11,13H2,1-5H3,(H,22,25).
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)-N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]propanamide?
3-(3,5-dimethylpyrazol-1-yl)-N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]propanamide has a molecular weight of 345.46 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpyrazol-1-yl)-N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]propanamide is sourced from PubChem (CID 55751308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).