2-(difluoromethyl)-5-methyl-N-[(1R)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-3-carboxamide

C17H17F2N5O2 — CID 164846729

IUPAC2-(difluoromethyl)-5-methyl-N-[(1R)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-3-carboxamide
SMILESCc1cccc(-c2noc([C@@H](C)NC(=O)c3cc(C)nn3C(F)F)n2)c1
InChIInChI=1S/C17H17F2N5O2/c1-9-5-4-6-12(7-9)14-21-16(26-23-14)11(3)20-15(25)13-8-10(2)22-24(13)17(18)19/h4-8,11,17H,1-3H3,(H,20,25)/t11-/m1/s1
InChIKeyFBAHYUWKQSXORR-LLVKDONJSA-N
MW361.35 g/mol
LogP3.44
Rot. Bonds5

About 2-(difluoromethyl)-5-methyl-N-[(1R)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-3-carboxamide

2-(difluoromethyl)-5-methyl-N-[(1R)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-3-carboxamide (PubChem CID 164846729) has the molecular formula C17H17F2N5O2 and a molecular weight of 361.35 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-methyl-N-[(1R)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-(difluoromethyl)-5-methyl-N-[(1R)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-3-carboxamide
PubChem CID164846729
Molecular FormulaC17H17F2N5O2
Molecular Weight361.35 g/mol
Exact Mass361.14
IUPAC Name2-(difluoromethyl)-5-methyl-N-[(1R)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-3-carboxamide
SMILESCc1cccc(-c2noc([C@@H](C)NC(=O)c3cc(C)nn3C(F)F)n2)c1
InChIInChI=1S/C17H17F2N5O2/c1-9-5-4-6-12(7-9)14-21-16(26-23-14)11(3)20-15(25)13-8-10(2)22-24(13)17(18)19/h4-8,11,17H,1-3H3,(H,20,25)/t11-/m1/s1
InChIKeyFBAHYUWKQSXORR-LLVKDONJSA-N
XLogP3.44
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.35
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-methyl-N-[(1R)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-3-carboxamide?
The IUPAC name of 2-(difluoromethyl)-5-methyl-N-[(1R)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-3-carboxamide (CID 164846729) is 2-(difluoromethyl)-5-methyl-N-[(1R)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-(difluoromethyl)-5-methyl-N-[(1R)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-3-carboxamide?
The canonical SMILES for 2-(difluoromethyl)-5-methyl-N-[(1R)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-3-carboxamide is Cc1cccc(-c2noc([C@@H](C)NC(=O)c3cc(C)nn3C(F)F)n2)c1.
What is the InChIKey of 2-(difluoromethyl)-5-methyl-N-[(1R)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-3-carboxamide?
The InChIKey is FBAHYUWKQSXORR-LLVKDONJSA-N. The full InChI is InChI=1S/C17H17F2N5O2/c1-9-5-4-6-12(7-9)14-21-16(26-23-14)11(3)20-15(25)13-8-10(2)22-24(13)17(18)19/h4-8,11,17H,1-3H3,(H,20,25)/t11-/m1/s1.
What are the key properties of 2-(difluoromethyl)-5-methyl-N-[(1R)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-3-carboxamide?
2-(difluoromethyl)-5-methyl-N-[(1R)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-3-carboxamide has a molecular weight of 361.35 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-methyl-N-[(1R)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-3-carboxamide is sourced from PubChem (CID 164846729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).