1-ethyl-3-(3-fluorophenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide

C20H20FN3O — CID 46105456

IUPAC1-ethyl-3-(3-fluorophenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide
SMILESCCn1nc(-c2cccc(F)c2)cc1C(=O)NCCc1ccccc1
InChIInChI=1S/C20H20FN3O/c1-2-24-19(14-18(23-24)16-9-6-10-17(21)13-16)20(25)22-12-11-15-7-4-3-5-8-15/h3-10,13-14H,2,11-12H2,1H3,(H,22,25)
InChIKeyKXJNAXLUZZFEMH-UHFFFAOYSA-N
MW337.40 g/mol
LogP3.68
Rot. Bonds6

About 1-ethyl-3-(3-fluorophenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide

1-ethyl-3-(3-fluorophenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide (PubChem CID 46105456) has the molecular formula C20H20FN3O and a molecular weight of 337.40 g/mol. Its IUPAC name is 1-ethyl-3-(3-fluorophenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-ethyl-3-(3-fluorophenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide
PubChem CID46105456
Molecular FormulaC20H20FN3O
Molecular Weight337.40 g/mol
Exact Mass337.16
IUPAC Name1-ethyl-3-(3-fluorophenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide
SMILESCCn1nc(-c2cccc(F)c2)cc1C(=O)NCCc1ccccc1
InChIInChI=1S/C20H20FN3O/c1-2-24-19(14-18(23-24)16-9-6-10-17(21)13-16)20(25)22-12-11-15-7-4-3-5-8-15/h3-10,13-14H,2,11-12H2,1H3,(H,22,25)
InChIKeyKXJNAXLUZZFEMH-UHFFFAOYSA-N
XLogP3.68
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-butan-2-yl]-1-ethyl-3-(3-fluorophenyl)pyrazole-5-carboxamide
CID 93014221
N-cyclohexyl-1-ethyl-3-(3-fluorophenyl)pyrazole-5-carboxamide
CID 46105451
2,5-diphenyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 46079173
3-(3,4-difluorophenyl)-1-ethyl-N-[(2-fluorophenyl)methyl]pyrazole-5-carboxamide
CID 46105471
3-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]-N-(2-phenylethyl)benzamide
CID 46322463
3-(4-fluorophenyl)-1-(4-methoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 42755174
5-(3-fluorophenyl)-N-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392448
1-methyl-N-[2-[3-(methylcarbamoyl)phenyl]ethyl]-3-phenylpyrazole-5-carboxamide
CID 139014474
3-(3-fluorophenyl)-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide
CID 46705133
1-ethyl-N-[2-(4-fluorophenyl)ethyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55486953
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-3-(2-methoxyphenyl)pyrazole-5-carboxamide
CID 42879358
1-ethyl-3-(3-fluorophenyl)pyrazol-5-amine
CID 61265903

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(3-fluorophenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide?
The IUPAC name of 1-ethyl-3-(3-fluorophenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide (CID 46105456) is 1-ethyl-3-(3-fluorophenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-ethyl-3-(3-fluorophenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-ethyl-3-(3-fluorophenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide is CCn1nc(-c2cccc(F)c2)cc1C(=O)NCCc1ccccc1.
What is the InChIKey of 1-ethyl-3-(3-fluorophenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide?
The InChIKey is KXJNAXLUZZFEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O/c1-2-24-19(14-18(23-24)16-9-6-10-17(21)13-16)20(25)22-12-11-15-7-4-3-5-8-15/h3-10,13-14H,2,11-12H2,1H3,(H,22,25).
What are the key properties of 1-ethyl-3-(3-fluorophenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide?
1-ethyl-3-(3-fluorophenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide has a molecular weight of 337.40 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(3-fluorophenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 46105456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).