(2S,3S)-N-[(2R)-1-(4-bromopyrazol-1-yl)propan-2-yl]-2-(1-ethylimidazol-2-yl)oxolan-3-amine

C15H22BrN5O — CID 129475592

IUPAC(2S,3S)-N-[(2R)-1-(4-bromopyrazol-1-yl)propan-2-yl]-2-(1-ethylimidazol-2-yl)oxolan-3-amine
SMILESCCn1ccnc1[C@H]1OCC[C@@H]1N[C@H](C)Cn1cc(Br)cn1
InChIInChI=1S/C15H22BrN5O/c1-3-20-6-5-17-15(20)14-13(4-7-22-14)19-11(2)9-21-10-12(16)8-18-21/h5-6,8,10-11,13-14,19H,3-4,7,9H2,1-2H3/t11-,13+,14+/m1/s1
InChIKeyUVIQXRNTHMOMEG-XBFCOCLRSA-N
MW368.28 g/mol
LogP2.37
Rot. Bonds6

About (2S,3S)-N-[(2R)-1-(4-bromopyrazol-1-yl)propan-2-yl]-2-(1-ethylimidazol-2-yl)oxolan-3-amine

(2S,3S)-N-[(2R)-1-(4-bromopyrazol-1-yl)propan-2-yl]-2-(1-ethylimidazol-2-yl)oxolan-3-amine (PubChem CID 129475592) has the molecular formula C15H22BrN5O and a molecular weight of 368.28 g/mol. Its IUPAC name is (2S,3S)-N-[(2R)-1-(4-bromopyrazol-1-yl)propan-2-yl]-2-(1-ethylimidazol-2-yl)oxolan-3-amine.

Molecular Properties

Compound Name(2S,3S)-N-[(2R)-1-(4-bromopyrazol-1-yl)propan-2-yl]-2-(1-ethylimidazol-2-yl)oxolan-3-amine
PubChem CID129475592
Molecular FormulaC15H22BrN5O
Molecular Weight368.28 g/mol
Exact Mass367.10
IUPAC Name(2S,3S)-N-[(2R)-1-(4-bromopyrazol-1-yl)propan-2-yl]-2-(1-ethylimidazol-2-yl)oxolan-3-amine
SMILESCCn1ccnc1[C@H]1OCC[C@@H]1N[C@H](C)Cn1cc(Br)cn1
InChIInChI=1S/C15H22BrN5O/c1-3-20-6-5-17-15(20)14-13(4-7-22-14)19-11(2)9-21-10-12(16)8-18-21/h5-6,8,10-11,13-14,19H,3-4,7,9H2,1-2H3/t11-,13+,14+/m1/s1
InChIKeyUVIQXRNTHMOMEG-XBFCOCLRSA-N
XLogP2.37
TPSA56.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.28
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N-[(2R)-1-(4-bromopyrazol-1-yl)propan-2-yl]-2-(1-ethylimidazol-2-yl)oxolan-3-amine?
The IUPAC name of (2S,3S)-N-[(2R)-1-(4-bromopyrazol-1-yl)propan-2-yl]-2-(1-ethylimidazol-2-yl)oxolan-3-amine (CID 129475592) is (2S,3S)-N-[(2R)-1-(4-bromopyrazol-1-yl)propan-2-yl]-2-(1-ethylimidazol-2-yl)oxolan-3-amine.
What is the SMILES notation for (2S,3S)-N-[(2R)-1-(4-bromopyrazol-1-yl)propan-2-yl]-2-(1-ethylimidazol-2-yl)oxolan-3-amine?
The canonical SMILES for (2S,3S)-N-[(2R)-1-(4-bromopyrazol-1-yl)propan-2-yl]-2-(1-ethylimidazol-2-yl)oxolan-3-amine is CCn1ccnc1[C@H]1OCC[C@@H]1N[C@H](C)Cn1cc(Br)cn1.
What is the InChIKey of (2S,3S)-N-[(2R)-1-(4-bromopyrazol-1-yl)propan-2-yl]-2-(1-ethylimidazol-2-yl)oxolan-3-amine?
The InChIKey is UVIQXRNTHMOMEG-XBFCOCLRSA-N. The full InChI is InChI=1S/C15H22BrN5O/c1-3-20-6-5-17-15(20)14-13(4-7-22-14)19-11(2)9-21-10-12(16)8-18-21/h5-6,8,10-11,13-14,19H,3-4,7,9H2,1-2H3/t11-,13+,14+/m1/s1.
What are the key properties of (2S,3S)-N-[(2R)-1-(4-bromopyrazol-1-yl)propan-2-yl]-2-(1-ethylimidazol-2-yl)oxolan-3-amine?
(2S,3S)-N-[(2R)-1-(4-bromopyrazol-1-yl)propan-2-yl]-2-(1-ethylimidazol-2-yl)oxolan-3-amine has a molecular weight of 368.28 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-[(2R)-1-(4-bromopyrazol-1-yl)propan-2-yl]-2-(1-ethylimidazol-2-yl)oxolan-3-amine is sourced from PubChem (CID 129475592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).