(5-cyclopropyl-1H-pyrazol-3-yl)-[(2S)-4,4-difluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone

C14H15F2N5O2 — CID 110203120

IUPAC(5-cyclopropyl-1H-pyrazol-3-yl)-[(2S)-4,4-difluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
SMILESCc1noc([C@@H]2CC(F)(F)CN2C(=O)c2cc(C3CC3)[nH]n2)n1
InChIInChI=1S/C14H15F2N5O2/c1-7-17-12(23-20-7)11-5-14(15,16)6-21(11)13(22)10-4-9(18-19-10)8-2-3-8/h4,8,11H,2-3,5-6H2,1H3,(H,18,19)/t11-/m0/s1
InChIKeyYCGYKGCDJPKVDD-NSHDSACASA-N
MW323.30 g/mol
LogP2.20
Rot. Bonds3

About (5-cyclopropyl-1H-pyrazol-3-yl)-[(2S)-4,4-difluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone

(5-cyclopropyl-1H-pyrazol-3-yl)-[(2S)-4,4-difluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone (PubChem CID 110203120) has the molecular formula C14H15F2N5O2 and a molecular weight of 323.30 g/mol. Its IUPAC name is (5-cyclopropyl-1H-pyrazol-3-yl)-[(2S)-4,4-difluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(5-cyclopropyl-1H-pyrazol-3-yl)-[(2S)-4,4-difluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
PubChem CID110203120
Molecular FormulaC14H15F2N5O2
Molecular Weight323.30 g/mol
Exact Mass323.12
IUPAC Name(5-cyclopropyl-1H-pyrazol-3-yl)-[(2S)-4,4-difluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
SMILESCc1noc([C@@H]2CC(F)(F)CN2C(=O)c2cc(C3CC3)[nH]n2)n1
InChIInChI=1S/C14H15F2N5O2/c1-7-17-12(23-20-7)11-5-14(15,16)6-21(11)13(22)10-4-9(18-19-10)8-2-3-8/h4,8,11H,2-3,5-6H2,1H3,(H,18,19)/t11-/m0/s1
InChIKeyYCGYKGCDJPKVDD-NSHDSACASA-N
XLogP2.20
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.30
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (5-cyclopropyl-1H-pyrazol-3-yl)-[(2S)-4,4-difluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1H-pyrazol-3-yl)-[(2S)-4,4-difluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (5-cyclopropyl-1H-pyrazol-3-yl)-[(2S)-4,4-difluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone (CID 110203120) is (5-cyclopropyl-1H-pyrazol-3-yl)-[(2S)-4,4-difluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (5-cyclopropyl-1H-pyrazol-3-yl)-[(2S)-4,4-difluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (5-cyclopropyl-1H-pyrazol-3-yl)-[(2S)-4,4-difluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone is Cc1noc([C@@H]2CC(F)(F)CN2C(=O)c2cc(C3CC3)[nH]n2)n1.
What is the InChIKey of (5-cyclopropyl-1H-pyrazol-3-yl)-[(2S)-4,4-difluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone?
The InChIKey is YCGYKGCDJPKVDD-NSHDSACASA-N. The full InChI is InChI=1S/C14H15F2N5O2/c1-7-17-12(23-20-7)11-5-14(15,16)6-21(11)13(22)10-4-9(18-19-10)8-2-3-8/h4,8,11H,2-3,5-6H2,1H3,(H,18,19)/t11-/m0/s1.
What are the key properties of (5-cyclopropyl-1H-pyrazol-3-yl)-[(2S)-4,4-difluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone?
(5-cyclopropyl-1H-pyrazol-3-yl)-[(2S)-4,4-difluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone has a molecular weight of 323.30 g/mol, XLogP of 2.20, 3 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)-4,4-difluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 110203120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).