1-ethyl-N-[2-(4-fluorophenyl)propyl]-3,5-dimethylpyrazole-4-carboxamide

C17H22FN3O — CID 110279442

IUPAC1-ethyl-N-[2-(4-fluorophenyl)propyl]-3,5-dimethylpyrazole-4-carboxamide
SMILESCCn1nc(C)c(C(=O)NCC(C)c2ccc(F)cc2)c1C
InChIInChI=1S/C17H22FN3O/c1-5-21-13(4)16(12(3)20-21)17(22)19-10-11(2)14-6-8-15(18)9-7-14/h6-9,11H,5,10H2,1-4H3,(H,19,22)
InChIKeyJSYXFVCCLOXIMY-UHFFFAOYSA-N
MW303.38 g/mol
LogP3.19
Rot. Bonds5

About 1-ethyl-N-[2-(4-fluorophenyl)propyl]-3,5-dimethylpyrazole-4-carboxamide

1-ethyl-N-[2-(4-fluorophenyl)propyl]-3,5-dimethylpyrazole-4-carboxamide (PubChem CID 110279442) has the molecular formula C17H22FN3O and a molecular weight of 303.38 g/mol. Its IUPAC name is 1-ethyl-N-[2-(4-fluorophenyl)propyl]-3,5-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[2-(4-fluorophenyl)propyl]-3,5-dimethylpyrazole-4-carboxamide
PubChem CID110279442
Molecular FormulaC17H22FN3O
Molecular Weight303.38 g/mol
Exact Mass303.17
IUPAC Name1-ethyl-N-[2-(4-fluorophenyl)propyl]-3,5-dimethylpyrazole-4-carboxamide
SMILESCCn1nc(C)c(C(=O)NCC(C)c2ccc(F)cc2)c1C
InChIInChI=1S/C17H22FN3O/c1-5-21-13(4)16(12(3)20-21)17(22)19-10-11(2)14-6-8-15(18)9-7-14/h6-9,11H,5,10H2,1-4H3,(H,19,22)
InChIKeyJSYXFVCCLOXIMY-UHFFFAOYSA-N
XLogP3.19
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(4-fluorophenyl)propyl]acetamide
CID 110279440
3-ethyl-N-[2-(4-fluorophenyl)propyl]-1-methylpyrazole-5-carboxamide
CID 110279591
1-ethyl-3,5-dimethyl-N-propylpyrazole-4-carboxamide
CID 19472103
N-[2-(4-fluorophenyl)propyl]-1-methylpyrazole-3-carboxamide
CID 110279490
5-chloro-1-[(4-fluorophenyl)methyl]-3-methyl-N-(2-methylpropyl)pyrazole-4-carboxamide
CID 51309815
3-tert-butyl-N-[2-(4-fluorophenyl)propyl]-1-methylpyrazole-5-carboxamide
CID 110279589
N-[2-(4-fluorophenyl)propyl]-3,5-dimethylbenzamide
CID 110279716
N-(2,6-dibromo-4-fluorophenyl)-1-ethyl-3,5-dimethylpyrazole-4-carboxamide
CID 35335727
N-[2-(4-fluorophenyl)propyl]-2,5-dimethylbenzamide
CID 110279740
4-fluoro-N-[2-(4-nitrophenyl)propyl]benzamide
CID 4702481
1-ethyl-3,5-dimethyl-N-[2-(tetrazol-1-yl)ethyl]pyrazole-4-carboxamide
CID 118790638
3-ethoxy-N-[2-(4-fluorophenyl)propyl]-1H-pyrazole-5-carboxamide
CID 110279600

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[2-(4-fluorophenyl)propyl]-3,5-dimethylpyrazole-4-carboxamide?
The IUPAC name of 1-ethyl-N-[2-(4-fluorophenyl)propyl]-3,5-dimethylpyrazole-4-carboxamide (CID 110279442) is 1-ethyl-N-[2-(4-fluorophenyl)propyl]-3,5-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for 1-ethyl-N-[2-(4-fluorophenyl)propyl]-3,5-dimethylpyrazole-4-carboxamide?
The canonical SMILES for 1-ethyl-N-[2-(4-fluorophenyl)propyl]-3,5-dimethylpyrazole-4-carboxamide is CCn1nc(C)c(C(=O)NCC(C)c2ccc(F)cc2)c1C.
What is the InChIKey of 1-ethyl-N-[2-(4-fluorophenyl)propyl]-3,5-dimethylpyrazole-4-carboxamide?
The InChIKey is JSYXFVCCLOXIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O/c1-5-21-13(4)16(12(3)20-21)17(22)19-10-11(2)14-6-8-15(18)9-7-14/h6-9,11H,5,10H2,1-4H3,(H,19,22).
What are the key properties of 1-ethyl-N-[2-(4-fluorophenyl)propyl]-3,5-dimethylpyrazole-4-carboxamide?
1-ethyl-N-[2-(4-fluorophenyl)propyl]-3,5-dimethylpyrazole-4-carboxamide has a molecular weight of 303.38 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[2-(4-fluorophenyl)propyl]-3,5-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 110279442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).