1-(2-fluorophenyl)-N-[4-(1,2,4-oxadiazol-3-yl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide

C19H11F4N5O2 — CID 136522603

IUPAC1-(2-fluorophenyl)-N-[4-(1,2,4-oxadiazol-3-yl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESO=C(Nc1ccc(-c2ncon2)cc1)c1cnn(-c2ccccc2F)c1C(F)(F)F
InChIInChI=1S/C19H11F4N5O2/c20-14-3-1-2-4-15(14)28-16(19(21,22)23)13(9-25-28)18(29)26-12-7-5-11(6-8-12)17-24-10-30-27-17/h1-10H,(H,26,29)
InChIKeyHIGAALJPBPKVAI-UHFFFAOYSA-N
MW417.32 g/mol
LogP4.33
Rot. Bonds4

About 1-(2-fluorophenyl)-N-[4-(1,2,4-oxadiazol-3-yl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide

1-(2-fluorophenyl)-N-[4-(1,2,4-oxadiazol-3-yl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 136522603) has the molecular formula C19H11F4N5O2 and a molecular weight of 417.32 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-[4-(1,2,4-oxadiazol-3-yl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-[4-(1,2,4-oxadiazol-3-yl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID136522603
Molecular FormulaC19H11F4N5O2
Molecular Weight417.32 g/mol
Exact Mass417.08
IUPAC Name1-(2-fluorophenyl)-N-[4-(1,2,4-oxadiazol-3-yl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESO=C(Nc1ccc(-c2ncon2)cc1)c1cnn(-c2ccccc2F)c1C(F)(F)F
InChIInChI=1S/C19H11F4N5O2/c20-14-3-1-2-4-15(14)28-16(19(21,22)23)13(9-25-28)18(29)26-12-7-5-11(6-8-12)17-24-10-30-27-17/h1-10H,(H,26,29)
InChIKeyHIGAALJPBPKVAI-UHFFFAOYSA-N
XLogP4.33
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.32
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3,5-dichloro-2-pyridinyl)-N-[4-(1,2,4-oxadiazol-3-yl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 136524333
1-(2-fluorophenyl)-N-[4-(2-methoxyethoxy)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112821605
1-(2-chlorophenyl)-N-[4-(1,2,4-oxadiazol-3-yl)phenyl]-5-propan-2-ylpyrazole-4-carboxamide
CID 166222953
1-(2-fluorophenyl)-N-[6-(2-methoxyethoxy)-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112820470
N-[6-(diethylamino)-3-pyridinyl]-1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112833718
N-(5-bromo-2-pyridinyl)-1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112813800
1-(2-fluorophenyl)-N-(4-piperidin-1-ylsulfonylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112813716
N-(3,4-dipropoxyphenyl)-1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112813782
N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112822481
N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112821285
N-(4-chloro-2-fluorophenyl)-1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 39982766
1-(2-fluorophenyl)-5-methyl-N-(4-methylphenyl)pyrazole-4-carboxamide
CID 33398860

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-[4-(1,2,4-oxadiazol-3-yl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-N-[4-(1,2,4-oxadiazol-3-yl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 136522603) is 1-(2-fluorophenyl)-N-[4-(1,2,4-oxadiazol-3-yl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-[4-(1,2,4-oxadiazol-3-yl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-[4-(1,2,4-oxadiazol-3-yl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide is O=C(Nc1ccc(-c2ncon2)cc1)c1cnn(-c2ccccc2F)c1C(F)(F)F.
What is the InChIKey of 1-(2-fluorophenyl)-N-[4-(1,2,4-oxadiazol-3-yl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is HIGAALJPBPKVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F4N5O2/c20-14-3-1-2-4-15(14)28-16(19(21,22)23)13(9-25-28)18(29)26-12-7-5-11(6-8-12)17-24-10-30-27-17/h1-10H,(H,26,29).
What are the key properties of 1-(2-fluorophenyl)-N-[4-(1,2,4-oxadiazol-3-yl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
1-(2-fluorophenyl)-N-[4-(1,2,4-oxadiazol-3-yl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 417.32 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-[4-(1,2,4-oxadiazol-3-yl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 136522603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).