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

C18H9Cl2F3N6O2 — CID 136524333

IUPAC1-(3,5-dichloro-2-pyridinyl)-N-[4-(1,2,4-oxadiazol-3-yl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESO=C(Nc1ccc(-c2ncon2)cc1)c1cnn(-c2ncc(Cl)cc2Cl)c1C(F)(F)F
InChIInChI=1S/C18H9Cl2F3N6O2/c19-10-5-13(20)16(24-6-10)29-14(18(21,22)23)12(7-26-29)17(30)27-11-3-1-9(2-4-11)15-25-8-31-28-15/h1-8H,(H,27,30)
InChIKeyNMEJGUBUXWTADY-UHFFFAOYSA-N
MW469.21 g/mol
LogP4.90
Rot. Bonds4

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

1-(3,5-dichloro-2-pyridinyl)-N-[4-(1,2,4-oxadiazol-3-yl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 136524333) has the molecular formula C18H9Cl2F3N6O2 and a molecular weight of 469.21 g/mol. Its IUPAC name is 1-(3,5-dichloro-2-pyridinyl)-N-[4-(1,2,4-oxadiazol-3-yl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(3,5-dichloro-2-pyridinyl)-N-[4-(1,2,4-oxadiazol-3-yl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID136524333
Molecular FormulaC18H9Cl2F3N6O2
Molecular Weight469.21 g/mol
Exact Mass468.01
IUPAC Name1-(3,5-dichloro-2-pyridinyl)-N-[4-(1,2,4-oxadiazol-3-yl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESO=C(Nc1ccc(-c2ncon2)cc1)c1cnn(-c2ncc(Cl)cc2Cl)c1C(F)(F)F
InChIInChI=1S/C18H9Cl2F3N6O2/c19-10-5-13(20)16(24-6-10)29-14(18(21,22)23)12(7-26-29)17(30)27-11-3-1-9(2-4-11)15-25-8-31-28-15/h1-8H,(H,27,30)
InChIKeyNMEJGUBUXWTADY-UHFFFAOYSA-N
XLogP4.90
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.21
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(2-fluorophenyl)-N-[4-(1,2,4-oxadiazol-3-yl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 136522603
1-(2-chlorophenyl)-N-[4-(1,2,4-oxadiazol-3-yl)phenyl]-5-propan-2-ylpyrazole-4-carboxamide
CID 166222953
N-[(2S)-1-aminopropan-2-yl]-1-(3,5-dichloro-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;hydrochloride
CID 120506358
N-(4-chlorophenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 2807979
N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-(3,4-difluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 146285027
1-(3-chloro-2-pyridinyl)-N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 146285264
N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-pyrazolo[1,5-a]pyrazin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 134609857
N-(3,4-dichlorophenyl)-1-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 134093988
1-(3-chlorophenyl)-N-(4-iodophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 46635513
1-(1,2-benzothiazol-3-yl)-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 134609770
N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-1-(3,4-dichloro-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 146285083
1-(2-chloro-4-fluoro-3-methylphenyl)-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 146285087

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichloro-2-pyridinyl)-N-[4-(1,2,4-oxadiazol-3-yl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(3,5-dichloro-2-pyridinyl)-N-[4-(1,2,4-oxadiazol-3-yl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 136524333) is 1-(3,5-dichloro-2-pyridinyl)-N-[4-(1,2,4-oxadiazol-3-yl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(3,5-dichloro-2-pyridinyl)-N-[4-(1,2,4-oxadiazol-3-yl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(3,5-dichloro-2-pyridinyl)-N-[4-(1,2,4-oxadiazol-3-yl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide is O=C(Nc1ccc(-c2ncon2)cc1)c1cnn(-c2ncc(Cl)cc2Cl)c1C(F)(F)F.
What is the InChIKey of 1-(3,5-dichloro-2-pyridinyl)-N-[4-(1,2,4-oxadiazol-3-yl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is NMEJGUBUXWTADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9Cl2F3N6O2/c19-10-5-13(20)16(24-6-10)29-14(18(21,22)23)12(7-26-29)17(30)27-11-3-1-9(2-4-11)15-25-8-31-28-15/h1-8H,(H,27,30).
What are the key properties of 1-(3,5-dichloro-2-pyridinyl)-N-[4-(1,2,4-oxadiazol-3-yl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
1-(3,5-dichloro-2-pyridinyl)-N-[4-(1,2,4-oxadiazol-3-yl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 469.21 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichloro-2-pyridinyl)-N-[4-(1,2,4-oxadiazol-3-yl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 136524333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).