(2S,3S)-2-(1-ethylpyrazol-4-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]oxolane-3-carboxamide

C13H18F3N3O2 — CID 138000703

IUPAC(2S,3S)-2-(1-ethylpyrazol-4-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]oxolane-3-carboxamide
SMILESCCn1cc([C@H]2OCC[C@@H]2C(=O)N[C@@H](C)C(F)(F)F)cn1
InChIInChI=1S/C13H18F3N3O2/c1-3-19-7-9(6-17-19)11-10(4-5-21-11)12(20)18-8(2)13(14,15)16/h6-8,10-11H,3-5H2,1-2H3,(H,18,20)/t8-,10-,11+/m0/s1
InChIKeyUJFOWKNOKXJLEW-INTQDDNPSA-N
MW305.30 g/mol
LogP2.05
Rot. Bonds4

About (2S,3S)-2-(1-ethylpyrazol-4-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]oxolane-3-carboxamide

(2S,3S)-2-(1-ethylpyrazol-4-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]oxolane-3-carboxamide (PubChem CID 138000703) has the molecular formula C13H18F3N3O2 and a molecular weight of 305.30 g/mol. Its IUPAC name is (2S,3S)-2-(1-ethylpyrazol-4-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-2-(1-ethylpyrazol-4-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]oxolane-3-carboxamide
PubChem CID138000703
Molecular FormulaC13H18F3N3O2
Molecular Weight305.30 g/mol
Exact Mass305.14
IUPAC Name(2S,3S)-2-(1-ethylpyrazol-4-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]oxolane-3-carboxamide
SMILESCCn1cc([C@H]2OCC[C@@H]2C(=O)N[C@@H](C)C(F)(F)F)cn1
InChIInChI=1S/C13H18F3N3O2/c1-3-19-7-9(6-17-19)11-10(4-5-21-11)12(20)18-8(2)13(14,15)16/h6-8,10-11H,3-5H2,1-2H3,(H,18,20)/t8-,10-,11+/m0/s1
InChIKeyUJFOWKNOKXJLEW-INTQDDNPSA-N
XLogP2.05
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

rac-(2R,3R)-2-(1-methyl-1H-pyrazol-4-yl)oxolane-3-carbaldehyde
CID 122164200
(2R,3R)-2-(1-methylpyrazol-4-yl)-N-(2-sulfanylethyl)oxolane-3-carboxamide
CID 177680375
6,6-dimethyl-4-[(2S,3S)-2-(1-methylpyrazol-4-yl)oxolane-3-carbonyl]-1-propan-2-ylpiperazin-2-one
CID 136581052
4-[(2S,3S)-2-(1-ethylpyrazol-4-yl)oxolane-3-carbonyl]-1-methylpiperazin-2-one
CID 128995973
(2S,3S)-N-cyclohex-2-en-1-yl-2-(1-methylpyrazol-4-yl)oxolane-3-carboxamide
CID 128997492
(2S,3S)-N-but-2-ynyl-2-(1-ethylpyrazol-4-yl)oxolane-3-carboxamide
CID 129005954
(2S,3S)-2-(1-ethylpyrazol-4-yl)-N-[(2R)-4-hydroxy-1-methoxybutan-2-yl]oxolane-3-carboxamide
CID 129477495
3-[[2-(1-Methylpyrazol-4-yl)oxolan-3-yl]methylamino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 71928668
(3R)-3-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methylamino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 97009835
(3R)-3-[[(2R,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methylamino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 97009837
3,3-difluoro-N-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]pyrrolidine-1-carboxamide
CID 128736970
N-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-3-(trifluoromethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 128893893

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-(1-ethylpyrazol-4-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]oxolane-3-carboxamide?
The IUPAC name of (2S,3S)-2-(1-ethylpyrazol-4-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]oxolane-3-carboxamide (CID 138000703) is (2S,3S)-2-(1-ethylpyrazol-4-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]oxolane-3-carboxamide.
What is the SMILES notation for (2S,3S)-2-(1-ethylpyrazol-4-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]oxolane-3-carboxamide?
The canonical SMILES for (2S,3S)-2-(1-ethylpyrazol-4-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]oxolane-3-carboxamide is CCn1cc([C@H]2OCC[C@@H]2C(=O)N[C@@H](C)C(F)(F)F)cn1.
What is the InChIKey of (2S,3S)-2-(1-ethylpyrazol-4-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]oxolane-3-carboxamide?
The InChIKey is UJFOWKNOKXJLEW-INTQDDNPSA-N. The full InChI is InChI=1S/C13H18F3N3O2/c1-3-19-7-9(6-17-19)11-10(4-5-21-11)12(20)18-8(2)13(14,15)16/h6-8,10-11H,3-5H2,1-2H3,(H,18,20)/t8-,10-,11+/m0/s1.
What are the key properties of (2S,3S)-2-(1-ethylpyrazol-4-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]oxolane-3-carboxamide?
(2S,3S)-2-(1-ethylpyrazol-4-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]oxolane-3-carboxamide has a molecular weight of 305.30 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-(1-ethylpyrazol-4-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]oxolane-3-carboxamide is sourced from PubChem (CID 138000703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).