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

C15H19F3N6O2 — CID 166099630

IUPAC1-methyl-N-[(1S)-1-[3-(3-methylpyrrolidin-1-yl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCC1CCN(c2noc([C@H](C)NC(=O)c3cc(C(F)(F)F)nn3C)n2)C1
InChIInChI=1S/C15H19F3N6O2/c1-8-4-5-24(7-8)14-20-13(26-22-14)9(2)19-12(25)10-6-11(15(16,17)18)21-23(10)3/h6,8-9H,4-5,7H2,1-3H3,(H,19,25)/t8?,9-/m0/s1
InChIKeyNVLPBHMQBJJWSZ-GKAPJAKFSA-N
MW372.35 g/mol
LogP2.16
Rot. Bonds4

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

1-methyl-N-[(1S)-1-[3-(3-methylpyrrolidin-1-yl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 166099630) has the molecular formula C15H19F3N6O2 and a molecular weight of 372.35 g/mol. Its IUPAC name is 1-methyl-N-[(1S)-1-[3-(3-methylpyrrolidin-1-yl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(1S)-1-[3-(3-methylpyrrolidin-1-yl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID166099630
Molecular FormulaC15H19F3N6O2
Molecular Weight372.35 g/mol
Exact Mass372.15
IUPAC Name1-methyl-N-[(1S)-1-[3-(3-methylpyrrolidin-1-yl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCC1CCN(c2noc([C@H](C)NC(=O)c3cc(C(F)(F)F)nn3C)n2)C1
InChIInChI=1S/C15H19F3N6O2/c1-8-4-5-24(7-8)14-20-13(26-22-14)9(2)19-12(25)10-6-11(15(16,17)18)21-23(10)3/h6,8-9H,4-5,7H2,1-3H3,(H,19,25)/t8?,9-/m0/s1
InChIKeyNVLPBHMQBJJWSZ-GKAPJAKFSA-N
XLogP2.16
TPSA89.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.35
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(1S)-1-[3-(3-methylpyrrolidin-1-yl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of 1-methyl-N-[(1S)-1-[3-(3-methylpyrrolidin-1-yl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 166099630) is 1-methyl-N-[(1S)-1-[3-(3-methylpyrrolidin-1-yl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-[(1S)-1-[3-(3-methylpyrrolidin-1-yl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-[(1S)-1-[3-(3-methylpyrrolidin-1-yl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide is CC1CCN(c2noc([C@H](C)NC(=O)c3cc(C(F)(F)F)nn3C)n2)C1.
What is the InChIKey of 1-methyl-N-[(1S)-1-[3-(3-methylpyrrolidin-1-yl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is NVLPBHMQBJJWSZ-GKAPJAKFSA-N. The full InChI is InChI=1S/C15H19F3N6O2/c1-8-4-5-24(7-8)14-20-13(26-22-14)9(2)19-12(25)10-6-11(15(16,17)18)21-23(10)3/h6,8-9H,4-5,7H2,1-3H3,(H,19,25)/t8?,9-/m0/s1.
What are the key properties of 1-methyl-N-[(1S)-1-[3-(3-methylpyrrolidin-1-yl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
1-methyl-N-[(1S)-1-[3-(3-methylpyrrolidin-1-yl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 372.35 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(1S)-1-[3-(3-methylpyrrolidin-1-yl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 166099630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).