(2-methylpyrazol-3-yl)-[(3S)-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone

C12H12F3N5O2 — CID 129416553

IUPAC(2-methylpyrazol-3-yl)-[(3S)-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone
SMILESCn1nccc1C(=O)N1CC[C@H](c2noc(C(F)(F)F)n2)C1
InChIInChI=1S/C12H12F3N5O2/c1-19-8(2-4-16-19)10(21)20-5-3-7(6-20)9-17-11(22-18-9)12(13,14)15/h2,4,7H,3,5-6H2,1H3/t7-/m0/s1
InChIKeyDVXPZACZPRDCDH-ZETCQYMHSA-N
MW315.26 g/mol
LogP1.45
Rot. Bonds2

About (2-methylpyrazol-3-yl)-[(3S)-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone

(2-methylpyrazol-3-yl)-[(3S)-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone (PubChem CID 129416553) has the molecular formula C12H12F3N5O2 and a molecular weight of 315.26 g/mol. Its IUPAC name is (2-methylpyrazol-3-yl)-[(3S)-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methylpyrazol-3-yl)-[(3S)-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone
PubChem CID129416553
Molecular FormulaC12H12F3N5O2
Molecular Weight315.26 g/mol
Exact Mass315.09
IUPAC Name(2-methylpyrazol-3-yl)-[(3S)-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone
SMILESCn1nccc1C(=O)N1CC[C@H](c2noc(C(F)(F)F)n2)C1
InChIInChI=1S/C12H12F3N5O2/c1-19-8(2-4-16-19)10(21)20-5-3-7(6-20)9-17-11(22-18-9)12(13,14)15/h2,4,7H,3,5-6H2,1H3/t7-/m0/s1
InChIKeyDVXPZACZPRDCDH-ZETCQYMHSA-N
XLogP1.45
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.26
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-N-[2-(5-propyl-1,2,4-oxadiazol-3-yl)propan-2-yl]pyrazole-3-carboxamide
CID 53537763
N-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-2-methylpyrazole-3-carboxamide
CID 53538181
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-2-methylpyrazole-3-carboxamide
CID 53547449
[2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 72123832
1-[5-(1-{[1-(difluoromethyl)-1H-pyrazol-3-yl]carbonyl}piperidin-4-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine
CID 72844537
3-Ethyl-5-[1-(1-ethyl-1H-pyrazole-3-carbonyl)-4,4-difluoropyrrolidin-2-YL]-1,2,4-oxadiazole
CID 110203222
5-[4,4-Difluoro-1-(1-methyl-1H-pyrazole-5-carbonyl)pyrrolidin-2-YL]-3-ethyl-1,2,4-oxadiazole
CID 110203243
[(3S,4S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-(methoxymethyl)pyrrolidin-1-yl]-(2-ethylpyrazol-3-yl)methanone
CID 110203036
1-[(1-ethyl-1H-pyrazol-5-yl)carbonyl]-3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-4H-1,2,4-triazol-3-yl]piperidine
CID 70718499
(4S)-N-ethyl-4-{[(1-ethyl-1H-pyrazol-3-yl)carbonyl]amino}-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-L-prolinamide
CID 72925622
2-{3-[1-(1-Methyl-1H-pyrazole-5-carbonyl)pyrrolidin-3-YL]-1,2,4-oxadiazol-5-YL}pyrazine
CID 91905590
3-{[1-(1-Ethyl-1H-pyrazole-5-carbonyl)pyrrolidin-3-YL]methyl}-5-(oxan-4-YL)-1,2,4-oxadiazole
CID 91905857

Frequently Asked Questions

What is the IUPAC name of (2-methylpyrazol-3-yl)-[(3S)-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone?
The IUPAC name of (2-methylpyrazol-3-yl)-[(3S)-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone (CID 129416553) is (2-methylpyrazol-3-yl)-[(3S)-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-methylpyrazol-3-yl)-[(3S)-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (2-methylpyrazol-3-yl)-[(3S)-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone is Cn1nccc1C(=O)N1CC[C@H](c2noc(C(F)(F)F)n2)C1.
What is the InChIKey of (2-methylpyrazol-3-yl)-[(3S)-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone?
The InChIKey is DVXPZACZPRDCDH-ZETCQYMHSA-N. The full InChI is InChI=1S/C12H12F3N5O2/c1-19-8(2-4-16-19)10(21)20-5-3-7(6-20)9-17-11(22-18-9)12(13,14)15/h2,4,7H,3,5-6H2,1H3/t7-/m0/s1.
What are the key properties of (2-methylpyrazol-3-yl)-[(3S)-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone?
(2-methylpyrazol-3-yl)-[(3S)-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone has a molecular weight of 315.26 g/mol, XLogP of 1.45, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpyrazol-3-yl)-[(3S)-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 129416553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).