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

C19H17F4N5O2 — CID 164846709

IUPAC1-cyclopropyl-N-[(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]propyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCC[C@H](NC(=O)c1cc(C(F)(F)F)nn1C1CC1)c1nc(-c2cccc(F)c2)no1
InChIInChI=1S/C19H17F4N5O2/c1-2-13(18-25-16(27-30-18)10-4-3-5-11(20)8-10)24-17(29)14-9-15(19(21,22)23)26-28(14)12-6-7-12/h3-5,8-9,12-13H,2,6-7H2,1H3,(H,24,29)/t13-/m0/s1
InChIKeyKKYJTZOIRNEDAF-ZDUSSCGKSA-N
MW423.37 g/mol
LogP4.31
Rot. Bonds6

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

1-cyclopropyl-N-[(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]propyl]-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 164846709) has the molecular formula C19H17F4N5O2 and a molecular weight of 423.37 g/mol. Its IUPAC name is 1-cyclopropyl-N-[(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]propyl]-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-N-[(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]propyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID164846709
Molecular FormulaC19H17F4N5O2
Molecular Weight423.37 g/mol
Exact Mass423.13
IUPAC Name1-cyclopropyl-N-[(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]propyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCC[C@H](NC(=O)c1cc(C(F)(F)F)nn1C1CC1)c1nc(-c2cccc(F)c2)no1
InChIInChI=1S/C19H17F4N5O2/c1-2-13(18-25-16(27-30-18)10-4-3-5-11(20)8-10)24-17(29)14-9-15(19(21,22)23)26-28(14)12-6-7-12/h3-5,8-9,12-13H,2,6-7H2,1H3,(H,24,29)/t13-/m0/s1
InChIKeyKKYJTZOIRNEDAF-ZDUSSCGKSA-N
XLogP4.31
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.37
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]propyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of 1-cyclopropyl-N-[(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]propyl]-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 164846709) is 1-cyclopropyl-N-[(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]propyl]-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-cyclopropyl-N-[(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]propyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-cyclopropyl-N-[(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]propyl]-3-(trifluoromethyl)pyrazole-5-carboxamide is CC[C@H](NC(=O)c1cc(C(F)(F)F)nn1C1CC1)c1nc(-c2cccc(F)c2)no1.
What is the InChIKey of 1-cyclopropyl-N-[(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]propyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is KKYJTZOIRNEDAF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H17F4N5O2/c1-2-13(18-25-16(27-30-18)10-4-3-5-11(20)8-10)24-17(29)14-9-15(19(21,22)23)26-28(14)12-6-7-12/h3-5,8-9,12-13H,2,6-7H2,1H3,(H,24,29)/t13-/m0/s1.
What are the key properties of 1-cyclopropyl-N-[(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]propyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
1-cyclopropyl-N-[(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]propyl]-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 423.37 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]propyl]-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 164846709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).