3,5-diethyl-1-(3-fluorophenyl)-N-propan-2-ylpyrazole-4-carboxamide

C17H22FN3O — CID 42820184

IUPAC3,5-diethyl-1-(3-fluorophenyl)-N-propan-2-ylpyrazole-4-carboxamide
SMILESCCc1nn(-c2cccc(F)c2)c(CC)c1C(=O)NC(C)C
InChIInChI=1S/C17H22FN3O/c1-5-14-16(17(22)19-11(3)4)15(6-2)21(20-14)13-9-7-8-12(18)10-13/h7-11H,5-6H2,1-4H3,(H,19,22)
InChIKeyZHQHDSFXYYWBHG-UHFFFAOYSA-N
MW303.38 g/mol
LogP3.27
Rot. Bonds5

About 3,5-diethyl-1-(3-fluorophenyl)-N-propan-2-ylpyrazole-4-carboxamide

3,5-diethyl-1-(3-fluorophenyl)-N-propan-2-ylpyrazole-4-carboxamide (PubChem CID 42820184) has the molecular formula C17H22FN3O and a molecular weight of 303.38 g/mol. Its IUPAC name is 3,5-diethyl-1-(3-fluorophenyl)-N-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3,5-diethyl-1-(3-fluorophenyl)-N-propan-2-ylpyrazole-4-carboxamide
PubChem CID42820184
Molecular FormulaC17H22FN3O
Molecular Weight303.38 g/mol
Exact Mass303.17
IUPAC Name3,5-diethyl-1-(3-fluorophenyl)-N-propan-2-ylpyrazole-4-carboxamide
SMILESCCc1nn(-c2cccc(F)c2)c(CC)c1C(=O)NC(C)C
InChIInChI=1S/C17H22FN3O/c1-5-14-16(17(22)19-11(3)4)15(6-2)21(20-14)13-9-7-8-12(18)10-13/h7-11H,5-6H2,1-4H3,(H,19,22)
InChIKeyZHQHDSFXYYWBHG-UHFFFAOYSA-N
XLogP3.27
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 ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-1-(4-fluorophenyl)-3-methyl-N-propan-2-ylpyrazole-4-carboxamide
CID 42818350
1-(3-chlorophenyl)-3-cyclopropyl-5-ethyl-N-propan-2-ylpyrazole-4-carboxamide
CID 42820477
2-[3,5-diethyl-1-(3-fluorophenyl)pyrazol-4-yl]-N-methylethanamine
CID 79224863
5-ethyl-1-(2-methylphenyl)-N-propan-2-yl-3-propylpyrazole-4-carboxamide
CID 42818413
5-ethyl-1-(4-methylphenyl)-N,3-di(propan-2-yl)pyrazole-4-carboxamide
CID 42820458
methyl 5-ethyl-1-(3-fluorophenyl)triazole-4-carboxylate
CID 94068964
3-cyclopropyl-5-ethyl-1-(3-fluorophenyl)-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
CID 42820506
5-ethyl-9-(3-fluorophenyl)-3-phenyl-N-propan-2-yl-1,3,4,8-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,10,12-tetraene-8-carboxamide
CID 50797829
2-(3-fluorophenyl)-5-hydroxy-6-(methylaminomethyl)pyridazin-3-one
CID 82421915
5-ethyl-1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-(2-methylpropyl)pyrazole-4-carboxamide
CID 42820294
5-ethyl-1-(3-methylphenyl)-N-(2-methylpropyl)-3-propan-2-ylpyrazole-4-carboxamide
CID 42820321
2-[3-(3-fluorophenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]-N-propan-2-ylacetamide
CID 7475905

Frequently Asked Questions

What is the IUPAC name of 3,5-diethyl-1-(3-fluorophenyl)-N-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of 3,5-diethyl-1-(3-fluorophenyl)-N-propan-2-ylpyrazole-4-carboxamide (CID 42820184) is 3,5-diethyl-1-(3-fluorophenyl)-N-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 3,5-diethyl-1-(3-fluorophenyl)-N-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 3,5-diethyl-1-(3-fluorophenyl)-N-propan-2-ylpyrazole-4-carboxamide is CCc1nn(-c2cccc(F)c2)c(CC)c1C(=O)NC(C)C.
What is the InChIKey of 3,5-diethyl-1-(3-fluorophenyl)-N-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is ZHQHDSFXYYWBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O/c1-5-14-16(17(22)19-11(3)4)15(6-2)21(20-14)13-9-7-8-12(18)10-13/h7-11H,5-6H2,1-4H3,(H,19,22).
What are the key properties of 3,5-diethyl-1-(3-fluorophenyl)-N-propan-2-ylpyrazole-4-carboxamide?
3,5-diethyl-1-(3-fluorophenyl)-N-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 303.38 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethyl-1-(3-fluorophenyl)-N-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 42820184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).