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

C14H19F3N4O2 — CID 167966431

IUPACN-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-1-(2,2,2-trifluoroethyl)azetidine-3-carboxamide
SMILESCn1cc([C@H]2OCC[C@@H]2NC(=O)C2CN(CC(F)(F)F)C2)cn1
InChIInChI=1S/C14H19F3N4O2/c1-20-5-9(4-18-20)12-11(2-3-23-12)19-13(22)10-6-21(7-10)8-14(15,16)17/h4-5,10-12H,2-3,6-8H2,1H3,(H,19,22)/t11-,12+/m0/s1
InChIKeyQSKOSTIFZRSVPX-NWDGAFQWSA-N
MW332.33 g/mol
LogP0.86
Rot. Bonds4

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

N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-1-(2,2,2-trifluoroethyl)azetidine-3-carboxamide (PubChem CID 167966431) has the molecular formula C14H19F3N4O2 and a molecular weight of 332.33 g/mol. Its IUPAC name is N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-1-(2,2,2-trifluoroethyl)azetidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-1-(2,2,2-trifluoroethyl)azetidine-3-carboxamide
PubChem CID167966431
Molecular FormulaC14H19F3N4O2
Molecular Weight332.33 g/mol
Exact Mass332.15
IUPAC NameN-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-1-(2,2,2-trifluoroethyl)azetidine-3-carboxamide
SMILESCn1cc([C@H]2OCC[C@@H]2NC(=O)C2CN(CC(F)(F)F)C2)cn1
InChIInChI=1S/C14H19F3N4O2/c1-20-5-9(4-18-20)12-11(2-3-23-12)19-13(22)10-6-21(7-10)8-14(15,16)17/h4-5,10-12H,2-3,6-8H2,1H3,(H,19,22)/t11-,12+/m0/s1
InChIKeyQSKOSTIFZRSVPX-NWDGAFQWSA-N
XLogP0.86
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

rac-(2R,3S)-2-[1-(2-methoxyethyl)-1H-pyrazol-4-yl]oxolan-3-amine dihydrochloride
CID 122164099
1-[1-(4-fluorocyclohexyl)ethyl]-3-[(2R,3S)-2-(1-propan-2-ylpyrazol-4-yl)oxolan-3-yl]urea
CID 164640819
3-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]amino]-1-morpholin-4-ylbutan-1-one
CID 129007161
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
(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
N-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-3-(trifluoromethyl)piperidine-1-carboxamide
CID 128914803
N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 128997368
2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]acetamide
CID 129006241
(3S)-3-[[(2R,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methylamino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 129490442

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-1-(2,2,2-trifluoroethyl)azetidine-3-carboxamide?
The IUPAC name of N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-1-(2,2,2-trifluoroethyl)azetidine-3-carboxamide (CID 167966431) is N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-1-(2,2,2-trifluoroethyl)azetidine-3-carboxamide.
What is the SMILES notation for N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-1-(2,2,2-trifluoroethyl)azetidine-3-carboxamide?
The canonical SMILES for N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-1-(2,2,2-trifluoroethyl)azetidine-3-carboxamide is Cn1cc([C@H]2OCC[C@@H]2NC(=O)C2CN(CC(F)(F)F)C2)cn1.
What is the InChIKey of N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-1-(2,2,2-trifluoroethyl)azetidine-3-carboxamide?
The InChIKey is QSKOSTIFZRSVPX-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H19F3N4O2/c1-20-5-9(4-18-20)12-11(2-3-23-12)19-13(22)10-6-21(7-10)8-14(15,16)17/h4-5,10-12H,2-3,6-8H2,1H3,(H,19,22)/t11-,12+/m0/s1.
What are the key properties of N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-1-(2,2,2-trifluoroethyl)azetidine-3-carboxamide?
N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-1-(2,2,2-trifluoroethyl)azetidine-3-carboxamide has a molecular weight of 332.33 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-1-(2,2,2-trifluoroethyl)azetidine-3-carboxamide is sourced from PubChem (CID 167966431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).