(5-cyclopropyl-1H-pyrazol-3-yl)-[(2S)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]methanone

C15H17F2N5O2 — CID 110203240

IUPAC(5-cyclopropyl-1H-pyrazol-3-yl)-[(2S)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]methanone
SMILESCCc1noc([C@@H]2CC(F)(F)CN2C(=O)c2cc(C3CC3)[nH]n2)n1
InChIInChI=1S/C15H17F2N5O2/c1-2-12-18-13(24-21-12)11-6-15(16,17)7-22(11)14(23)10-5-9(19-20-10)8-3-4-8/h5,8,11H,2-4,6-7H2,1H3,(H,19,20)/t11-/m0/s1
InChIKeyLYWOFRJNTRSLDH-NSHDSACASA-N
MW337.33 g/mol
LogP2.45
Rot. Bonds4

About (5-cyclopropyl-1H-pyrazol-3-yl)-[(2S)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]methanone

(5-cyclopropyl-1H-pyrazol-3-yl)-[(2S)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]methanone (PubChem CID 110203240) has the molecular formula C15H17F2N5O2 and a molecular weight of 337.33 g/mol. Its IUPAC name is (5-cyclopropyl-1H-pyrazol-3-yl)-[(2S)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(5-cyclopropyl-1H-pyrazol-3-yl)-[(2S)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]methanone
PubChem CID110203240
Molecular FormulaC15H17F2N5O2
Molecular Weight337.33 g/mol
Exact Mass337.14
IUPAC Name(5-cyclopropyl-1H-pyrazol-3-yl)-[(2S)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]methanone
SMILESCCc1noc([C@@H]2CC(F)(F)CN2C(=O)c2cc(C3CC3)[nH]n2)n1
InChIInChI=1S/C15H17F2N5O2/c1-2-12-18-13(24-21-12)11-6-15(16,17)7-22(11)14(23)10-5-9(19-20-10)8-3-4-8/h5,8,11H,2-4,6-7H2,1H3,(H,19,20)/t11-/m0/s1
InChIKeyLYWOFRJNTRSLDH-NSHDSACASA-N
XLogP2.45
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.33
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1H-pyrazol-3-yl)-[(2S)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]methanone?
The IUPAC name of (5-cyclopropyl-1H-pyrazol-3-yl)-[(2S)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]methanone (CID 110203240) is (5-cyclopropyl-1H-pyrazol-3-yl)-[(2S)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]methanone.
What is the SMILES notation for (5-cyclopropyl-1H-pyrazol-3-yl)-[(2S)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]methanone?
The canonical SMILES for (5-cyclopropyl-1H-pyrazol-3-yl)-[(2S)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]methanone is CCc1noc([C@@H]2CC(F)(F)CN2C(=O)c2cc(C3CC3)[nH]n2)n1.
What is the InChIKey of (5-cyclopropyl-1H-pyrazol-3-yl)-[(2S)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]methanone?
The InChIKey is LYWOFRJNTRSLDH-NSHDSACASA-N. The full InChI is InChI=1S/C15H17F2N5O2/c1-2-12-18-13(24-21-12)11-6-15(16,17)7-22(11)14(23)10-5-9(19-20-10)8-3-4-8/h5,8,11H,2-4,6-7H2,1H3,(H,19,20)/t11-/m0/s1.
What are the key properties of (5-cyclopropyl-1H-pyrazol-3-yl)-[(2S)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]methanone?
(5-cyclopropyl-1H-pyrazol-3-yl)-[(2S)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]methanone has a molecular weight of 337.33 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-1H-pyrazol-3-yl)-[(2S)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]methanone is sourced from PubChem (CID 110203240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).