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

C25H24FN5O3 — CID 155272311

IUPAC3-cyclopropyl-N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-phenylmethoxyethyl]-1-methylpyrazole-5-carboxamide
SMILESCn1nc(C2CC2)cc1C(=O)NC(COCc1ccccc1)c1nc(-c2cccc(F)c2)no1
InChIInChI=1S/C25H24FN5O3/c1-31-22(13-20(29-31)17-10-11-17)24(32)27-21(15-33-14-16-6-3-2-4-7-16)25-28-23(30-34-25)18-8-5-9-19(26)12-18/h2-9,12-13,17,21H,10-11,14-15H2,1H3,(H,27,32)
InChIKeyIDEQDMFPLNGIER-UHFFFAOYSA-N
MW461.50 g/mol
LogP4.17
Rot. Bonds9

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

3-cyclopropyl-N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-phenylmethoxyethyl]-1-methylpyrazole-5-carboxamide (PubChem CID 155272311) has the molecular formula C25H24FN5O3 and a molecular weight of 461.50 g/mol. Its IUPAC name is 3-cyclopropyl-N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-phenylmethoxyethyl]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-phenylmethoxyethyl]-1-methylpyrazole-5-carboxamide
PubChem CID155272311
Molecular FormulaC25H24FN5O3
Molecular Weight461.50 g/mol
Exact Mass461.19
IUPAC Name3-cyclopropyl-N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-phenylmethoxyethyl]-1-methylpyrazole-5-carboxamide
SMILESCn1nc(C2CC2)cc1C(=O)NC(COCc1ccccc1)c1nc(-c2cccc(F)c2)no1
InChIInChI=1S/C25H24FN5O3/c1-31-22(13-20(29-31)17-10-11-17)24(32)27-21(15-33-14-16-6-3-2-4-7-16)25-28-23(30-34-25)18-8-5-9-19(26)12-18/h2-9,12-13,17,21H,10-11,14-15H2,1H3,(H,27,32)
InChIKeyIDEQDMFPLNGIER-UHFFFAOYSA-N
XLogP4.17
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.50
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-phenylmethoxyethyl]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 3-cyclopropyl-N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-phenylmethoxyethyl]-1-methylpyrazole-5-carboxamide (CID 155272311) is 3-cyclopropyl-N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-phenylmethoxyethyl]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 3-cyclopropyl-N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-phenylmethoxyethyl]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 3-cyclopropyl-N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-phenylmethoxyethyl]-1-methylpyrazole-5-carboxamide is Cn1nc(C2CC2)cc1C(=O)NC(COCc1ccccc1)c1nc(-c2cccc(F)c2)no1.
What is the InChIKey of 3-cyclopropyl-N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-phenylmethoxyethyl]-1-methylpyrazole-5-carboxamide?
The InChIKey is IDEQDMFPLNGIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5O3/c1-31-22(13-20(29-31)17-10-11-17)24(32)27-21(15-33-14-16-6-3-2-4-7-16)25-28-23(30-34-25)18-8-5-9-19(26)12-18/h2-9,12-13,17,21H,10-11,14-15H2,1H3,(H,27,32).
What are the key properties of 3-cyclopropyl-N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-phenylmethoxyethyl]-1-methylpyrazole-5-carboxamide?
3-cyclopropyl-N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-phenylmethoxyethyl]-1-methylpyrazole-5-carboxamide has a molecular weight of 461.50 g/mol, XLogP of 4.17, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-phenylmethoxyethyl]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 155272311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).