1-(2,2-difluoroethyl)-N-[(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methylpyrazole-4-carboxamide

C17H16F3N5O2 — CID 167186083

IUPAC1-(2,2-difluoroethyl)-N-[(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methylpyrazole-4-carboxamide
SMILESCc1nn(CC(F)F)cc1C(=O)N[C@@H](C)c1nc(-c2cccc(F)c2)no1
InChIInChI=1S/C17H16F3N5O2/c1-9-13(7-25(23-9)8-14(19)20)16(26)21-10(2)17-22-15(24-27-17)11-4-3-5-12(18)6-11/h3-7,10,14H,8H2,1-2H3,(H,21,26)/t10-/m0/s1
InChIKeyPDEVSEATUJFHHL-JTQLQIEISA-N
MW379.34 g/mol
LogP3.14
Rot. Bonds6

About 1-(2,2-difluoroethyl)-N-[(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methylpyrazole-4-carboxamide

1-(2,2-difluoroethyl)-N-[(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methylpyrazole-4-carboxamide (PubChem CID 167186083) has the molecular formula C17H16F3N5O2 and a molecular weight of 379.34 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-N-[(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-N-[(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methylpyrazole-4-carboxamide
PubChem CID167186083
Molecular FormulaC17H16F3N5O2
Molecular Weight379.34 g/mol
Exact Mass379.13
IUPAC Name1-(2,2-difluoroethyl)-N-[(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methylpyrazole-4-carboxamide
SMILESCc1nn(CC(F)F)cc1C(=O)N[C@@H](C)c1nc(-c2cccc(F)c2)no1
InChIInChI=1S/C17H16F3N5O2/c1-9-13(7-25(23-9)8-14(19)20)16(26)21-10(2)17-22-15(24-27-17)11-4-3-5-12(18)6-11/h3-7,10,14H,8H2,1-2H3,(H,21,26)/t10-/m0/s1
InChIKeyPDEVSEATUJFHHL-JTQLQIEISA-N
XLogP3.14
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.34
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(difluoromethyl)-N-[(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methylpyrazole-5-carboxamide
CID 167186052
2-amino-N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide
CID 119342756
3-methyl-1-propyl-N-[(1S)-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrazole-4-carboxamide
CID 97126973
4-amino-N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]pentanamide
CID 120563931
2-fluoro-N-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 17101311
4-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673982
N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylmorpholine-4-carboxamide
CID 71989743
5-fluoro-N-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-phenylbenzamide
CID 95141288
N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120638322
N-[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2,5-difluorobenzamide
CID 95782686
N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-pyrrolidin-2-ylacetamide
CID 119817198
N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119342761

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-N-[(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methylpyrazole-4-carboxamide?
The IUPAC name of 1-(2,2-difluoroethyl)-N-[(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methylpyrazole-4-carboxamide (CID 167186083) is 1-(2,2-difluoroethyl)-N-[(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(2,2-difluoroethyl)-N-[(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methylpyrazole-4-carboxamide?
The canonical SMILES for 1-(2,2-difluoroethyl)-N-[(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methylpyrazole-4-carboxamide is Cc1nn(CC(F)F)cc1C(=O)N[C@@H](C)c1nc(-c2cccc(F)c2)no1.
What is the InChIKey of 1-(2,2-difluoroethyl)-N-[(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methylpyrazole-4-carboxamide?
The InChIKey is PDEVSEATUJFHHL-JTQLQIEISA-N. The full InChI is InChI=1S/C17H16F3N5O2/c1-9-13(7-25(23-9)8-14(19)20)16(26)21-10(2)17-22-15(24-27-17)11-4-3-5-12(18)6-11/h3-7,10,14H,8H2,1-2H3,(H,21,26)/t10-/m0/s1.
What are the key properties of 1-(2,2-difluoroethyl)-N-[(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methylpyrazole-4-carboxamide?
1-(2,2-difluoroethyl)-N-[(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methylpyrazole-4-carboxamide has a molecular weight of 379.34 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-N-[(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methylpyrazole-4-carboxamide is sourced from PubChem (CID 167186083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).