(3S,4R)-4-[ethyl-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]amino]oxolan-3-ol

C17H23N3O3 — CID 133122718

IUPAC(3S,4R)-4-[ethyl-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]amino]oxolan-3-ol
SMILESCCN(Cc1cc(OC)ccc1-n1cccn1)[C@@H]1COC[C@H]1O
InChIInChI=1S/C17H23N3O3/c1-3-19(16-11-23-12-17(16)21)10-13-9-14(22-2)5-6-15(13)20-8-4-7-18-20/h4-9,16-17,21H,3,10-12H2,1-2H3/t16-,17-/m1/s1
InChIKeySICPCEVYPBNOMV-IAGOWNOFSA-N
MW317.39 g/mol
LogP1.46
Rot. Bonds6

About (3S,4R)-4-[ethyl-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]amino]oxolan-3-ol

(3S,4R)-4-[ethyl-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]amino]oxolan-3-ol (PubChem CID 133122718) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is (3S,4R)-4-[ethyl-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]amino]oxolan-3-ol.

Molecular Properties

Compound Name(3S,4R)-4-[ethyl-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]amino]oxolan-3-ol
PubChem CID133122718
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name(3S,4R)-4-[ethyl-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]amino]oxolan-3-ol
SMILESCCN(Cc1cc(OC)ccc1-n1cccn1)[C@@H]1COC[C@H]1O
InChIInChI=1S/C17H23N3O3/c1-3-19(16-11-23-12-17(16)21)10-13-9-14(22-2)5-6-15(13)20-8-4-7-18-20/h4-9,16-17,21H,3,10-12H2,1-2H3/t16-,17-/m1/s1
InChIKeySICPCEVYPBNOMV-IAGOWNOFSA-N
XLogP1.46
TPSA59.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3S,4R)-4-[ethyl-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]amino]oxolan-3-ol with MolForge

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Related Compounds

4-[3-(5-methoxy-2-pyrazol-1-ylphenyl)propyl]morpholine
CID 170869588
2-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl-methylamino]-N,N-dimethylpropanamide
CID 56718302
N-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]-N-methyl-2-morpholin-4-ylpropan-1-amine
CID 91763516
2-[4-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]morpholin-3-yl]acetic acid
CID 56912179
(3S,4R)-4-[[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]methyl-ethylamino]oxolan-3-ol
CID 133131035
1-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]-4-(oxan-4-yl)piperazine
CID 74246666
ethyl 4-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]piperazine-1-carboxylate
CID 91767325
1-(2-tert-butyl-4-methoxyphenyl)pyrazole
CID 160761915
1-(furan-2-ylmethyl)-4-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]piperazine
CID 135096544
4-methoxy-2-pyrazol-1-ylaniline
CID 16744027
(3aS,4S,7aR)-4-ethyl-2-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]-3,3a,5,6,7,7a-hexahydro-1H-isoindol-4-ol
CID 163306018
1-[2-[[(3R)-3-(3-chlorophenyl)pyrrolidin-1-yl]methyl]-4-methoxyphenyl]pyrazole
CID 99947179

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-[ethyl-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]amino]oxolan-3-ol?
The IUPAC name of (3S,4R)-4-[ethyl-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]amino]oxolan-3-ol (CID 133122718) is (3S,4R)-4-[ethyl-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]amino]oxolan-3-ol.
What is the SMILES notation for (3S,4R)-4-[ethyl-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]amino]oxolan-3-ol?
The canonical SMILES for (3S,4R)-4-[ethyl-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]amino]oxolan-3-ol is CCN(Cc1cc(OC)ccc1-n1cccn1)[C@@H]1COC[C@H]1O.
What is the InChIKey of (3S,4R)-4-[ethyl-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]amino]oxolan-3-ol?
The InChIKey is SICPCEVYPBNOMV-IAGOWNOFSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-3-19(16-11-23-12-17(16)21)10-13-9-14(22-2)5-6-15(13)20-8-4-7-18-20/h4-9,16-17,21H,3,10-12H2,1-2H3/t16-,17-/m1/s1.
What are the key properties of (3S,4R)-4-[ethyl-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]amino]oxolan-3-ol?
(3S,4R)-4-[ethyl-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]amino]oxolan-3-ol has a molecular weight of 317.39 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-[ethyl-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]amino]oxolan-3-ol is sourced from PubChem (CID 133122718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).