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

C18H18FN5O2 — CID 164846708

IUPAC3-cyclopropyl-N-[(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methylpyrazole-5-carboxamide
SMILESC[C@H](NC(=O)c1cc(C2CC2)nn1C)c1nc(-c2cccc(F)c2)no1
InChIInChI=1S/C18H18FN5O2/c1-10(18-21-16(23-26-18)12-4-3-5-13(19)8-12)20-17(25)15-9-14(11-6-7-11)22-24(15)2/h3-5,8-11H,6-7H2,1-2H3,(H,20,25)/t10-/m0/s1
InChIKeyPURTWVJRXBXTCE-JTQLQIEISA-N
MW355.37 g/mol
LogP2.98
Rot. Bonds5

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

3-cyclopropyl-N-[(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methylpyrazole-5-carboxamide (PubChem CID 164846708) has the molecular formula C18H18FN5O2 and a molecular weight of 355.37 g/mol. Its IUPAC name is 3-cyclopropyl-N-[(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-N-[(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methylpyrazole-5-carboxamide
PubChem CID164846708
Molecular FormulaC18H18FN5O2
Molecular Weight355.37 g/mol
Exact Mass355.14
IUPAC Name3-cyclopropyl-N-[(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methylpyrazole-5-carboxamide
SMILESC[C@H](NC(=O)c1cc(C2CC2)nn1C)c1nc(-c2cccc(F)c2)no1
InChIInChI=1S/C18H18FN5O2/c1-10(18-21-16(23-26-18)12-4-3-5-13(19)8-12)20-17(25)15-9-14(11-6-7-11)22-24(15)2/h3-5,8-11H,6-7H2,1-2H3,(H,20,25)/t10-/m0/s1
InChIKeyPURTWVJRXBXTCE-JTQLQIEISA-N
XLogP2.98
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 3-cyclopropyl-N-[(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methylpyrazole-5-carboxamide (CID 164846708) is 3-cyclopropyl-N-[(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 3-cyclopropyl-N-[(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 3-cyclopropyl-N-[(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methylpyrazole-5-carboxamide is C[C@H](NC(=O)c1cc(C2CC2)nn1C)c1nc(-c2cccc(F)c2)no1.
What is the InChIKey of 3-cyclopropyl-N-[(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methylpyrazole-5-carboxamide?
The InChIKey is PURTWVJRXBXTCE-JTQLQIEISA-N. The full InChI is InChI=1S/C18H18FN5O2/c1-10(18-21-16(23-26-18)12-4-3-5-13(19)8-12)20-17(25)15-9-14(11-6-7-11)22-24(15)2/h3-5,8-11H,6-7H2,1-2H3,(H,20,25)/t10-/m0/s1.
What are the key properties of 3-cyclopropyl-N-[(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methylpyrazole-5-carboxamide?
3-cyclopropyl-N-[(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methylpyrazole-5-carboxamide has a molecular weight of 355.37 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 164846708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).