3-tert-butyl-N-[2-(4-fluorophenyl)propyl]-1-methylpyrazole-5-carboxamide

C18H24FN3O — CID 110279589

IUPAC3-tert-butyl-N-[2-(4-fluorophenyl)propyl]-1-methylpyrazole-5-carboxamide
SMILESCC(CNC(=O)c1cc(C(C)(C)C)nn1C)c1ccc(F)cc1
InChIInChI=1S/C18H24FN3O/c1-12(13-6-8-14(19)9-7-13)11-20-17(23)15-10-16(18(2,3)4)21-22(15)5/h6-10,12H,11H2,1-5H3,(H,20,23)
InChIKeyWJLIBIDLPXHYLX-UHFFFAOYSA-N
MW317.41 g/mol
LogP3.39
Rot. Bonds4

About 3-tert-butyl-N-[2-(4-fluorophenyl)propyl]-1-methylpyrazole-5-carboxamide

3-tert-butyl-N-[2-(4-fluorophenyl)propyl]-1-methylpyrazole-5-carboxamide (PubChem CID 110279589) has the molecular formula C18H24FN3O and a molecular weight of 317.41 g/mol. Its IUPAC name is 3-tert-butyl-N-[2-(4-fluorophenyl)propyl]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-tert-butyl-N-[2-(4-fluorophenyl)propyl]-1-methylpyrazole-5-carboxamide
PubChem CID110279589
Molecular FormulaC18H24FN3O
Molecular Weight317.41 g/mol
Exact Mass317.19
IUPAC Name3-tert-butyl-N-[2-(4-fluorophenyl)propyl]-1-methylpyrazole-5-carboxamide
SMILESCC(CNC(=O)c1cc(C(C)(C)C)nn1C)c1ccc(F)cc1
InChIInChI=1S/C18H24FN3O/c1-12(13-6-8-14(19)9-7-13)11-20-17(23)15-10-16(18(2,3)4)21-22(15)5/h6-10,12H,11H2,1-5H3,(H,20,23)
InChIKeyWJLIBIDLPXHYLX-UHFFFAOYSA-N
XLogP3.39
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-N-[2-(4-fluorophenyl)propyl]-1-methylpyrazole-5-carboxamide
CID 110279591
3-tert-butyl-N-(2,4-dimethylpentyl)-1-methylpyrazole-5-carboxamide
CID 166375628
3-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]-2-phenylpropanoic acid
CID 119254613
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 111565394
N-[2-(4-fluorophenyl)propyl]-1-methylpyrazole-3-carboxamide
CID 110279490
3-tert-butyl-N'-[2-(4-fluorophenoxy)propanoyl]-1-methylpyrazole-5-carbohydrazide
CID 87011046
(2S)-2-benzyl-3-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]propanoic acid
CID 124695907
N-(2-aminoethyl)-3-tert-butyl-1-methylpyrazole-5-carboxamide
CID 119384846
N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 74236464
1-ethyl-N-[2-(4-fluorophenyl)propyl]-3,5-dimethylpyrazole-4-carboxamide
CID 110279442
N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide
CID 70762626
N-[2-(4-fluorophenyl)propyl]-3,5-dimethylbenzamide
CID 110279716

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-[2-(4-fluorophenyl)propyl]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 3-tert-butyl-N-[2-(4-fluorophenyl)propyl]-1-methylpyrazole-5-carboxamide (CID 110279589) is 3-tert-butyl-N-[2-(4-fluorophenyl)propyl]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 3-tert-butyl-N-[2-(4-fluorophenyl)propyl]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 3-tert-butyl-N-[2-(4-fluorophenyl)propyl]-1-methylpyrazole-5-carboxamide is CC(CNC(=O)c1cc(C(C)(C)C)nn1C)c1ccc(F)cc1.
What is the InChIKey of 3-tert-butyl-N-[2-(4-fluorophenyl)propyl]-1-methylpyrazole-5-carboxamide?
The InChIKey is WJLIBIDLPXHYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3O/c1-12(13-6-8-14(19)9-7-13)11-20-17(23)15-10-16(18(2,3)4)21-22(15)5/h6-10,12H,11H2,1-5H3,(H,20,23).
What are the key properties of 3-tert-butyl-N-[2-(4-fluorophenyl)propyl]-1-methylpyrazole-5-carboxamide?
3-tert-butyl-N-[2-(4-fluorophenyl)propyl]-1-methylpyrazole-5-carboxamide has a molecular weight of 317.41 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-[2-(4-fluorophenyl)propyl]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 110279589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).