N-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-3-(trifluoromethyl)piperidine-1-carboxamide

C15H21F3N4O2 — CID 128914803

IUPACN-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-3-(trifluoromethyl)piperidine-1-carboxamide
SMILESCn1cc([C@@H]2OCC[C@H]2NC(=O)N2CCCC(C(F)(F)F)C2)cn1
InChIInChI=1S/C15H21F3N4O2/c1-21-8-10(7-19-21)13-12(4-6-24-13)20-14(23)22-5-2-3-11(9-22)15(16,17)18/h7-8,11-13H,2-6,9H2,1H3,(H,20,23)/t11?,12-,13+/m1/s1
InChIKeyGWMRFKMVFIQDRM-HDYSRYHKSA-N
MW346.35 g/mol
LogP2.23
Rot. Bonds2

About N-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-3-(trifluoromethyl)piperidine-1-carboxamide

N-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-3-(trifluoromethyl)piperidine-1-carboxamide (PubChem CID 128914803) has the molecular formula C15H21F3N4O2 and a molecular weight of 346.35 g/mol. Its IUPAC name is N-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-3-(trifluoromethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-3-(trifluoromethyl)piperidine-1-carboxamide
PubChem CID128914803
Molecular FormulaC15H21F3N4O2
Molecular Weight346.35 g/mol
Exact Mass346.16
IUPAC NameN-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-3-(trifluoromethyl)piperidine-1-carboxamide
SMILESCn1cc([C@@H]2OCC[C@H]2NC(=O)N2CCCC(C(F)(F)F)C2)cn1
InChIInChI=1S/C15H21F3N4O2/c1-21-8-10(7-19-21)13-12(4-6-24-13)20-14(23)22-5-2-3-11(9-22)15(16,17)18/h7-8,11-13H,2-6,9H2,1H3,(H,20,23)/t11?,12-,13+/m1/s1
InChIKeyGWMRFKMVFIQDRM-HDYSRYHKSA-N
XLogP2.23
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

rac-(2R,3S)-2-[1-(2-methoxyethyl)-1H-pyrazol-4-yl]oxolan-3-amine dihydrochloride
CID 122164099
1-[[(2R,3R)-4-methyl-3-(1-methylpyrazol-4-yl)morpholin-2-yl]methyl]-3-[(3S)-oxolan-3-yl]urea
CID 164629792
1-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-3-(6-oxaspiro[2.5]octan-2-yl)urea
CID 164631338
1-[1-(4-fluorocyclohexyl)ethyl]-3-[(2R,3S)-2-(1-propan-2-ylpyrazol-4-yl)oxolan-3-yl]urea
CID 164640819
N-(2,2-dimethyloxolan-3-yl)-4-(1-ethylpyrazol-4-yl)piperidine-1-carboxamide
CID 128686364
1-[(1R)-1-cyclopropyl-2-methoxyethyl]-3-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]urea
CID 129475288
(2R)-2-(1-ethylpyrazol-4-yl)-N-(3-fluoropropyl)morpholine-4-carboxamide
CID 99829743
(2S)-2-(1-ethylpyrazol-4-yl)-N-(3-fluoropropyl)morpholine-4-carboxamide
CID 99829744
2-(1-ethylpyrazol-4-yl)-N-(3-fluoropropyl)morpholine-4-carboxamide
CID 121517809
(3S,4S)-1-[[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]carbamoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122012094
3,3-difluoro-N-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]pyrrolidine-1-carboxamide
CID 128736970
7,7-difluoro-6-methyl-N-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-3-azabicyclo[4.1.0]heptane-3-carboxamide
CID 128914698

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-3-(trifluoromethyl)piperidine-1-carboxamide?
The IUPAC name of N-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-3-(trifluoromethyl)piperidine-1-carboxamide (CID 128914803) is N-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-3-(trifluoromethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-3-(trifluoromethyl)piperidine-1-carboxamide?
The canonical SMILES for N-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-3-(trifluoromethyl)piperidine-1-carboxamide is Cn1cc([C@@H]2OCC[C@H]2NC(=O)N2CCCC(C(F)(F)F)C2)cn1.
What is the InChIKey of N-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-3-(trifluoromethyl)piperidine-1-carboxamide?
The InChIKey is GWMRFKMVFIQDRM-HDYSRYHKSA-N. The full InChI is InChI=1S/C15H21F3N4O2/c1-21-8-10(7-19-21)13-12(4-6-24-13)20-14(23)22-5-2-3-11(9-22)15(16,17)18/h7-8,11-13H,2-6,9H2,1H3,(H,20,23)/t11?,12-,13+/m1/s1.
What are the key properties of N-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-3-(trifluoromethyl)piperidine-1-carboxamide?
N-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-3-(trifluoromethyl)piperidine-1-carboxamide has a molecular weight of 346.35 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-3-(trifluoromethyl)piperidine-1-carboxamide is sourced from PubChem (CID 128914803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).