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

C20H20FN3O — CID 46104836

IUPAC1-ethyl-5-(3-fluorophenyl)-N-(1-phenylethyl)pyrazole-3-carboxamide
SMILESCCn1nc(C(=O)NC(C)c2ccccc2)cc1-c1cccc(F)c1
InChIInChI=1S/C20H20FN3O/c1-3-24-19(16-10-7-11-17(21)12-16)13-18(23-24)20(25)22-14(2)15-8-5-4-6-9-15/h4-14H,3H2,1-2H3,(H,22,25)
InChIKeySCJXTKFRRIYRQN-UHFFFAOYSA-N
MW337.40 g/mol
LogP4.20
Rot. Bonds5

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

1-ethyl-5-(3-fluorophenyl)-N-(1-phenylethyl)pyrazole-3-carboxamide (PubChem CID 46104836) has the molecular formula C20H20FN3O and a molecular weight of 337.40 g/mol. Its IUPAC name is 1-ethyl-5-(3-fluorophenyl)-N-(1-phenylethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-5-(3-fluorophenyl)-N-(1-phenylethyl)pyrazole-3-carboxamide
PubChem CID46104836
Molecular FormulaC20H20FN3O
Molecular Weight337.40 g/mol
Exact Mass337.16
IUPAC Name1-ethyl-5-(3-fluorophenyl)-N-(1-phenylethyl)pyrazole-3-carboxamide
SMILESCCn1nc(C(=O)NC(C)c2ccccc2)cc1-c1cccc(F)c1
InChIInChI=1S/C20H20FN3O/c1-3-24-19(16-10-7-11-17(21)12-16)13-18(23-24)20(25)22-14(2)15-8-5-4-6-9-15/h4-14H,3H2,1-2H3,(H,22,25)
InChIKeySCJXTKFRRIYRQN-UHFFFAOYSA-N
XLogP4.20
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 54.20
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
5-(4-tert-butylphenyl)-1-ethyl-N-propan-2-ylpyrazole-3-carboxamide
CID 46104950
5-(4-tert-butylphenyl)-1-methyl-N-(1-phenylethyl)pyrazole-3-carboxamide
CID 46105004
1-ethyl-3-(3-fluorophenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 46105456
4-N-(3-fluorophenyl)-2-N-(1-phenylethyl)pyridine-2,4-dicarboxamide
CID 109086154
2-N-[(1S)-1-phenylethyl]-6-N-[(1R)-1-phenylethyl]pyridine-2,6-dicarboxamide
CID 139136791
5-(4-methoxyphenyl)-1-methyl-N-[(1S)-1-phenylethyl]pyrazole-3-carboxamide
CID 93013913
5-(4-methoxyphenyl)-1-methyl-N-(1-phenylethyl)pyrazole-3-carboxamide
CID 46104570
5-benzyl-4-oxo-N-(1-phenylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 46077090
5-amino-1-methyl-N-(1-phenylethyl)pyrazole-3-carboxamide
CID 122171416
1-[2-(3-fluorophenyl)ethyl]-3-(1-phenylethyl)urea
CID 108901143
N-[1-(3-fluorophenyl)ethyl]-2H-triazole-4-carboxamide
CID 47334811

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-(3-fluorophenyl)-N-(1-phenylethyl)pyrazole-3-carboxamide?
The IUPAC name of 1-ethyl-5-(3-fluorophenyl)-N-(1-phenylethyl)pyrazole-3-carboxamide (CID 46104836) is 1-ethyl-5-(3-fluorophenyl)-N-(1-phenylethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-ethyl-5-(3-fluorophenyl)-N-(1-phenylethyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-ethyl-5-(3-fluorophenyl)-N-(1-phenylethyl)pyrazole-3-carboxamide is CCn1nc(C(=O)NC(C)c2ccccc2)cc1-c1cccc(F)c1.
What is the InChIKey of 1-ethyl-5-(3-fluorophenyl)-N-(1-phenylethyl)pyrazole-3-carboxamide?
The InChIKey is SCJXTKFRRIYRQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O/c1-3-24-19(16-10-7-11-17(21)12-16)13-18(23-24)20(25)22-14(2)15-8-5-4-6-9-15/h4-14H,3H2,1-2H3,(H,22,25).
What are the key properties of 1-ethyl-5-(3-fluorophenyl)-N-(1-phenylethyl)pyrazole-3-carboxamide?
1-ethyl-5-(3-fluorophenyl)-N-(1-phenylethyl)pyrazole-3-carboxamide has a molecular weight of 337.40 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-(3-fluorophenyl)-N-(1-phenylethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 46104836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).