5-ethyl-1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-(2-methylpropyl)pyrazole-4-carboxamide

C21H24FN3O2 — CID 42820294

IUPAC5-ethyl-1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-(2-methylpropyl)pyrazole-4-carboxamide
SMILESCCc1c(C(=O)NCc2ccco2)c(CC(C)C)nn1-c1ccc(F)cc1
InChIInChI=1S/C21H24FN3O2/c1-4-19-20(21(26)23-13-17-6-5-11-27-17)18(12-14(2)3)24-25(19)16-9-7-15(22)8-10-16/h5-11,14H,4,12-13H2,1-3H3,(H,23,26)
InChIKeyLMZGLWMDCXTBRE-UHFFFAOYSA-N
MW369.44 g/mol
LogP4.30
Rot. Bonds7

About 5-ethyl-1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-(2-methylpropyl)pyrazole-4-carboxamide

5-ethyl-1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-(2-methylpropyl)pyrazole-4-carboxamide (PubChem CID 42820294) has the molecular formula C21H24FN3O2 and a molecular weight of 369.44 g/mol. Its IUPAC name is 5-ethyl-1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-(2-methylpropyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-ethyl-1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-(2-methylpropyl)pyrazole-4-carboxamide
PubChem CID42820294
Molecular FormulaC21H24FN3O2
Molecular Weight369.44 g/mol
Exact Mass369.19
IUPAC Name5-ethyl-1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-(2-methylpropyl)pyrazole-4-carboxamide
SMILESCCc1c(C(=O)NCc2ccco2)c(CC(C)C)nn1-c1ccc(F)cc1
InChIInChI=1S/C21H24FN3O2/c1-4-19-20(21(26)23-13-17-6-5-11-27-17)18(12-14(2)3)24-25(19)16-9-7-15(22)8-10-16/h5-11,14H,4,12-13H2,1-3H3,(H,23,26)
InChIKeyLMZGLWMDCXTBRE-UHFFFAOYSA-N
XLogP4.30
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-methylpyrazole-4-carboxamide
CID 27649949
5-ethyl-1-(4-fluorophenyl)-3-propan-2-yl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide
CID 42820288
1-(4-fluorophenyl)-3-(furan-2-yl)-N-(furan-2-ylmethyl)pyrazole-5-carboxamide
CID 42762262
5-ethyl-1-(4-fluorophenyl)-3-methyl-N-propan-2-ylpyrazole-4-carboxamide
CID 42818350
3-[3-ethyl-5-(4-fluorophenoxy)-1-(4-methoxyphenyl)pyrazol-4-yl]-N-(furan-2-ylmethyl)propanamide
CID 42850496
4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-(furan-2-ylmethyl)benzamide
CID 44762282
3-[3-ethyl-5-(4-fluorophenoxy)-1-phenylpyrazol-4-yl]-N-(furan-2-ylmethyl)propanamide
CID 46042389
N-(furan-2-ylmethyl)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 5308926
2-(4-chlorophenyl)-4-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 42835761
5-[4-(4-fluorophenyl)piperazin-1-yl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109187509
5-(2-fluoro-4-nitrophenoxy)-1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-4-methylpyrazole-3-carboxamide
CID 91634633
(2S)-2-(4-fluorophenoxy)-N-(furan-2-ylmethyl)propanamide
CID 26909573

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-(2-methylpropyl)pyrazole-4-carboxamide?
The IUPAC name of 5-ethyl-1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-(2-methylpropyl)pyrazole-4-carboxamide (CID 42820294) is 5-ethyl-1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-(2-methylpropyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-ethyl-1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-(2-methylpropyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-ethyl-1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-(2-methylpropyl)pyrazole-4-carboxamide is CCc1c(C(=O)NCc2ccco2)c(CC(C)C)nn1-c1ccc(F)cc1.
What is the InChIKey of 5-ethyl-1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-(2-methylpropyl)pyrazole-4-carboxamide?
The InChIKey is LMZGLWMDCXTBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O2/c1-4-19-20(21(26)23-13-17-6-5-11-27-17)18(12-14(2)3)24-25(19)16-9-7-15(22)8-10-16/h5-11,14H,4,12-13H2,1-3H3,(H,23,26).
What are the key properties of 5-ethyl-1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-(2-methylpropyl)pyrazole-4-carboxamide?
5-ethyl-1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-(2-methylpropyl)pyrazole-4-carboxamide has a molecular weight of 369.44 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-(2-methylpropyl)pyrazole-4-carboxamide is sourced from PubChem (CID 42820294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).