1-phenyl-2-[[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]amino]ethanol

C18H25N3O2 — CID 167896430

IUPAC1-phenyl-2-[[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]amino]ethanol
SMILESCc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NCC(O)c1ccccc1
InChIInChI=1S/C18H25N3O2/c1-12-17(13(2)21(3)20-12)18-15(9-10-23-18)19-11-16(22)14-7-5-4-6-8-14/h4-8,15-16,18-19,22H,9-11H2,1-3H3/t15-,16?,18-/m0/s1
InChIKeyLRRUHRVKUNFTME-SPQDMEGHSA-N
MW315.42 g/mol
LogP2.19
Rot. Bonds5

About 1-phenyl-2-[[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]amino]ethanol

1-phenyl-2-[[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]amino]ethanol (PubChem CID 167896430) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 1-phenyl-2-[[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]amino]ethanol.

Molecular Properties

Compound Name1-phenyl-2-[[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]amino]ethanol
PubChem CID167896430
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name1-phenyl-2-[[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]amino]ethanol
SMILESCc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NCC(O)c1ccccc1
InChIInChI=1S/C18H25N3O2/c1-12-17(13(2)21(3)20-12)18-15(9-10-23-18)19-11-16(22)14-7-5-4-6-8-14/h4-8,15-16,18-19,22H,9-11H2,1-3H3/t15-,16?,18-/m0/s1
InChIKeyLRRUHRVKUNFTME-SPQDMEGHSA-N
XLogP2.19
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-methyloxolan-3-yl)amino]-1-phenylethanol
CID 115335546
(2S,3S)-N-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxamide
CID 129325500
(2R,3S)-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-amine
CID 128974749
(4R,5S)-4-[[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]amino]-1-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one
CID 129338216
(2R,3S)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-amine
CID 128973879
4-ethyl-2-[[[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]amino]methyl]-1H-pyrimidin-6-one
CID 154753423
4-[[[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]carbamoylamino]methyl]benzoic acid
CID 122020735
(2R,3S)-N-(1-ethylsulfonylpropan-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-amine
CID 129006792
1-[2-[[(2S,3R)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]amino]ethyl]imidazolidin-2-one
CID 136586038
2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-amine
CID 122235494
(2S,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxylic acid
CID 86812166
1-[(1R)-1-(furan-2-yl)ethyl]-3-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]urea
CID 129331100

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-[[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]amino]ethanol?
The IUPAC name of 1-phenyl-2-[[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]amino]ethanol (CID 167896430) is 1-phenyl-2-[[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]amino]ethanol.
What is the SMILES notation for 1-phenyl-2-[[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]amino]ethanol?
The canonical SMILES for 1-phenyl-2-[[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]amino]ethanol is Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NCC(O)c1ccccc1.
What is the InChIKey of 1-phenyl-2-[[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]amino]ethanol?
The InChIKey is LRRUHRVKUNFTME-SPQDMEGHSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-12-17(13(2)21(3)20-12)18-15(9-10-23-18)19-11-16(22)14-7-5-4-6-8-14/h4-8,15-16,18-19,22H,9-11H2,1-3H3/t15-,16?,18-/m0/s1.
What are the key properties of 1-phenyl-2-[[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]amino]ethanol?
1-phenyl-2-[[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]amino]ethanol has a molecular weight of 315.42 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-[[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]amino]ethanol is sourced from PubChem (CID 167896430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).