(2S,3S)-2-(2-phenylpyrazol-3-yl)oxolan-3-amine

C13H15N3O — CID 119056813

IUPAC(2S,3S)-2-(2-phenylpyrazol-3-yl)oxolan-3-amine
SMILESN[C@H]1CCO[C@@H]1c1ccnn1-c1ccccc1
InChIInChI=1S/C13H15N3O/c14-11-7-9-17-13(11)12-6-8-15-16(12)10-4-2-1-3-5-10/h1-6,8,11,13H,7,9,14H2/t11-,13-/m0/s1
InChIKeyFHFZBXDOKCTNNY-AAEUAGOBSA-N
MW229.28 g/mol
LogP1.66
Rot. Bonds2

About (2S,3S)-2-(2-phenylpyrazol-3-yl)oxolan-3-amine

(2S,3S)-2-(2-phenylpyrazol-3-yl)oxolan-3-amine (PubChem CID 119056813) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is (2S,3S)-2-(2-phenylpyrazol-3-yl)oxolan-3-amine.

Molecular Properties

Compound Name(2S,3S)-2-(2-phenylpyrazol-3-yl)oxolan-3-amine
PubChem CID119056813
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name(2S,3S)-2-(2-phenylpyrazol-3-yl)oxolan-3-amine
SMILESN[C@H]1CCO[C@@H]1c1ccnn1-c1ccccc1
InChIInChI=1S/C13H15N3O/c14-11-7-9-17-13(11)12-6-8-15-16(12)10-4-2-1-3-5-10/h1-6,8,11,13H,7,9,14H2/t11-,13-/m0/s1
InChIKeyFHFZBXDOKCTNNY-AAEUAGOBSA-N
XLogP1.66
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

trans-(1R,2R)-2-(2-phenylpyrazol-3-yl)cyclopropan-1-amine
CID 125129239
5-cyclopropyl-1-phenylpyrazole
CID 67206706
2-methyl-N-[(2R,3R)-2-(2-phenylpyrazol-3-yl)oxolan-3-yl]pyrimidin-4-amine
CID 126834756
(2S,3S)-N-(1H-imidazol-2-ylmethyl)-2-(2-phenylpyrazol-3-yl)oxolan-3-amine
CID 128976520
(2R,3R)-N-[[2-(methylamino)phenyl]methyl]-2-(2-phenylpyrazol-3-yl)oxolan-3-amine
CID 136588315
(2S,3S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(2-phenylpyrazol-3-yl)oxolan-3-amine
CID 128976639
5-(3-bromocycloheptyl)-1-phenylpyrazole
CID 107331306
1-methyl-4-[[[(2S,3S)-2-(2-phenylpyrazol-3-yl)oxolan-3-yl]amino]methyl]pyrrole-2-carbonitrile
CID 128976618
5-(2-phenylpyrazol-3-yl)pyrrolidine-2-carboxylic acid
CID 107331164
4-methyl-2-(2-phenylpyrazol-3-yl)piperidine
CID 107331171
(2R,3S)-2-pyridin-4-yloxolan-3-amine
CID 119032003
(2R,3R)-2-pyridin-4-yloxolan-3-amine
CID 124708910

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-(2-phenylpyrazol-3-yl)oxolan-3-amine?
The IUPAC name of (2S,3S)-2-(2-phenylpyrazol-3-yl)oxolan-3-amine (CID 119056813) is (2S,3S)-2-(2-phenylpyrazol-3-yl)oxolan-3-amine.
What is the SMILES notation for (2S,3S)-2-(2-phenylpyrazol-3-yl)oxolan-3-amine?
The canonical SMILES for (2S,3S)-2-(2-phenylpyrazol-3-yl)oxolan-3-amine is N[C@H]1CCO[C@@H]1c1ccnn1-c1ccccc1.
What is the InChIKey of (2S,3S)-2-(2-phenylpyrazol-3-yl)oxolan-3-amine?
The InChIKey is FHFZBXDOKCTNNY-AAEUAGOBSA-N. The full InChI is InChI=1S/C13H15N3O/c14-11-7-9-17-13(11)12-6-8-15-16(12)10-4-2-1-3-5-10/h1-6,8,11,13H,7,9,14H2/t11-,13-/m0/s1.
What are the key properties of (2S,3S)-2-(2-phenylpyrazol-3-yl)oxolan-3-amine?
(2S,3S)-2-(2-phenylpyrazol-3-yl)oxolan-3-amine has a molecular weight of 229.28 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-(2-phenylpyrazol-3-yl)oxolan-3-amine is sourced from PubChem (CID 119056813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).