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

C17H17F2N5O2 — CID 164846713

IUPAC3-(difluoromethyl)-1-methyl-N-[(1S)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-5-carboxamide
SMILESCc1cccc(-c2noc([C@H](C)NC(=O)c3cc(C(F)F)nn3C)n2)c1
InChIInChI=1S/C17H17F2N5O2/c1-9-5-4-6-11(7-9)15-21-17(26-23-15)10(2)20-16(25)13-8-12(14(18)19)22-24(13)3/h4-8,10,14H,1-3H3,(H,20,25)/t10-/m0/s1
InChIKeyGWRVNDLMZQOIKY-JTQLQIEISA-N
MW361.35 g/mol
LogP3.21
Rot. Bonds5

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

3-(difluoromethyl)-1-methyl-N-[(1S)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-5-carboxamide (PubChem CID 164846713) has the molecular formula C17H17F2N5O2 and a molecular weight of 361.35 g/mol. Its IUPAC name is 3-(difluoromethyl)-1-methyl-N-[(1S)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(difluoromethyl)-1-methyl-N-[(1S)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-5-carboxamide
PubChem CID164846713
Molecular FormulaC17H17F2N5O2
Molecular Weight361.35 g/mol
Exact Mass361.14
IUPAC Name3-(difluoromethyl)-1-methyl-N-[(1S)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-5-carboxamide
SMILESCc1cccc(-c2noc([C@H](C)NC(=O)c3cc(C(F)F)nn3C)n2)c1
InChIInChI=1S/C17H17F2N5O2/c1-9-5-4-6-11(7-9)15-21-17(26-23-15)10(2)20-16(25)13-8-12(14(18)19)22-24(13)3/h4-8,10,14H,1-3H3,(H,20,25)/t10-/m0/s1
InChIKeyGWRVNDLMZQOIKY-JTQLQIEISA-N
XLogP3.21
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 ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-1-methyl-N-[(1S)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-5-carboxamide?
The IUPAC name of 3-(difluoromethyl)-1-methyl-N-[(1S)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-5-carboxamide (CID 164846713) is 3-(difluoromethyl)-1-methyl-N-[(1S)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-5-carboxamide.
What is the SMILES notation for 3-(difluoromethyl)-1-methyl-N-[(1S)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-5-carboxamide?
The canonical SMILES for 3-(difluoromethyl)-1-methyl-N-[(1S)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-5-carboxamide is Cc1cccc(-c2noc([C@H](C)NC(=O)c3cc(C(F)F)nn3C)n2)c1.
What is the InChIKey of 3-(difluoromethyl)-1-methyl-N-[(1S)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-5-carboxamide?
The InChIKey is GWRVNDLMZQOIKY-JTQLQIEISA-N. The full InChI is InChI=1S/C17H17F2N5O2/c1-9-5-4-6-11(7-9)15-21-17(26-23-15)10(2)20-16(25)13-8-12(14(18)19)22-24(13)3/h4-8,10,14H,1-3H3,(H,20,25)/t10-/m0/s1.
What are the key properties of 3-(difluoromethyl)-1-methyl-N-[(1S)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-5-carboxamide?
3-(difluoromethyl)-1-methyl-N-[(1S)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-5-carboxamide has a molecular weight of 361.35 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-1-methyl-N-[(1S)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-5-carboxamide is sourced from PubChem (CID 164846713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).