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

C19H20FN5O2 — CID 164846738

IUPAC3-cyclopropyl-N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]propyl]-1-methylpyrazole-5-carboxamide
SMILESCCC(NC(=O)c1cc(C2CC2)nn1C)c1nc(-c2cccc(F)c2)no1
InChIInChI=1S/C19H20FN5O2/c1-3-14(19-22-17(24-27-19)12-5-4-6-13(20)9-12)21-18(26)16-10-15(11-7-8-11)23-25(16)2/h4-6,9-11,14H,3,7-8H2,1-2H3,(H,21,26)
InChIKeyCPXQJPVJDNTTKM-UHFFFAOYSA-N
MW369.40 g/mol
LogP3.37
Rot. Bonds6

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

3-cyclopropyl-N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]propyl]-1-methylpyrazole-5-carboxamide (PubChem CID 164846738) has the molecular formula C19H20FN5O2 and a molecular weight of 369.40 g/mol. Its IUPAC name is 3-cyclopropyl-N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]propyl]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]propyl]-1-methylpyrazole-5-carboxamide
PubChem CID164846738
Molecular FormulaC19H20FN5O2
Molecular Weight369.40 g/mol
Exact Mass369.16
IUPAC Name3-cyclopropyl-N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]propyl]-1-methylpyrazole-5-carboxamide
SMILESCCC(NC(=O)c1cc(C2CC2)nn1C)c1nc(-c2cccc(F)c2)no1
InChIInChI=1S/C19H20FN5O2/c1-3-14(19-22-17(24-27-19)12-5-4-6-13(20)9-12)21-18(26)16-10-15(11-7-8-11)23-25(16)2/h4-6,9-11,14H,3,7-8H2,1-2H3,(H,21,26)
InChIKeyCPXQJPVJDNTTKM-UHFFFAOYSA-N
XLogP3.37
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-cyclopropyl-1-methylpyrazole-5-carboxamide
CID 164846779
N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylsulfonylethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 167186084
3-(difluoromethyl)-N-[(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methylpyrazole-5-carboxamide
CID 167186052
(3R)-N-[(2S)-butan-2-yl]-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 95283267
1-[(4-cyclopropylphenyl)methyl]-3-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]urea
CID 119047290
3-ethyl-1-methyl-N-[(1R)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-5-carboxamide
CID 167186137
N-[(2S)-butan-2-yl]-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzamide
CID 92895825
4-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673982
2-ethyl-1-[(3R)-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one
CID 52839769
2-amino-N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide
CID 119342756
N-[(1S)-1-[3-(2-cyclobutyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 155272367
2-[(3-cyclopropyl-1-methylpyrazole-5-carbonyl)amino]propanoic acid
CID 155272214

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]propyl]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 3-cyclopropyl-N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]propyl]-1-methylpyrazole-5-carboxamide (CID 164846738) is 3-cyclopropyl-N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]propyl]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 3-cyclopropyl-N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]propyl]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 3-cyclopropyl-N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]propyl]-1-methylpyrazole-5-carboxamide is CCC(NC(=O)c1cc(C2CC2)nn1C)c1nc(-c2cccc(F)c2)no1.
What is the InChIKey of 3-cyclopropyl-N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]propyl]-1-methylpyrazole-5-carboxamide?
The InChIKey is CPXQJPVJDNTTKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O2/c1-3-14(19-22-17(24-27-19)12-5-4-6-13(20)9-12)21-18(26)16-10-15(11-7-8-11)23-25(16)2/h4-6,9-11,14H,3,7-8H2,1-2H3,(H,21,26).
What are the key properties of 3-cyclopropyl-N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]propyl]-1-methylpyrazole-5-carboxamide?
3-cyclopropyl-N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]propyl]-1-methylpyrazole-5-carboxamide has a molecular weight of 369.40 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 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]propyl]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 164846738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).