(1S)-1-(2-chlorophenyl)-2-[[(2S,3S)-3-pyrazol-1-ylbutan-2-yl]amino]ethanol

C15H20ClN3O — CID 124824047

IUPAC(1S)-1-(2-chlorophenyl)-2-[[(2S,3S)-3-pyrazol-1-ylbutan-2-yl]amino]ethanol
SMILESC[C@H](NC[C@@H](O)c1ccccc1Cl)[C@H](C)n1cccn1
InChIInChI=1S/C15H20ClN3O/c1-11(12(2)19-9-5-8-18-19)17-10-15(20)13-6-3-4-7-14(13)16/h3-9,11-12,15,17,20H,10H2,1-2H3/t11-,12-,15+/m0/s1
InChIKeyFVRMCZYCHFNMFI-SLEUVZQESA-N
MW293.80 g/mol
LogP2.81
Rot. Bonds6

About (1S)-1-(2-chlorophenyl)-2-[[(2S,3S)-3-pyrazol-1-ylbutan-2-yl]amino]ethanol

(1S)-1-(2-chlorophenyl)-2-[[(2S,3S)-3-pyrazol-1-ylbutan-2-yl]amino]ethanol (PubChem CID 124824047) has the molecular formula C15H20ClN3O and a molecular weight of 293.80 g/mol. Its IUPAC name is (1S)-1-(2-chlorophenyl)-2-[[(2S,3S)-3-pyrazol-1-ylbutan-2-yl]amino]ethanol.

Molecular Properties

Compound Name(1S)-1-(2-chlorophenyl)-2-[[(2S,3S)-3-pyrazol-1-ylbutan-2-yl]amino]ethanol
PubChem CID124824047
Molecular FormulaC15H20ClN3O
Molecular Weight293.80 g/mol
Exact Mass293.13
IUPAC Name(1S)-1-(2-chlorophenyl)-2-[[(2S,3S)-3-pyrazol-1-ylbutan-2-yl]amino]ethanol
SMILESC[C@H](NC[C@@H](O)c1ccccc1Cl)[C@H](C)n1cccn1
InChIInChI=1S/C15H20ClN3O/c1-11(12(2)19-9-5-8-18-19)17-10-15(20)13-6-3-4-7-14(13)16/h3-9,11-12,15,17,20H,10H2,1-2H3/t11-,12-,15+/m0/s1
InChIKeyFVRMCZYCHFNMFI-SLEUVZQESA-N
XLogP2.81
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1S)-1-(2-chlorophenyl)-2-[[(2S,3S)-3-pyrazol-1-ylbutan-2-yl]amino]ethanol with MolForge

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Related Compounds

1-(2-chlorophenyl)-2-(1-pyrazol-1-ylpropan-2-ylamino)ethanol
CID 61459886
1-(2-chlorophenyl)-2-(3-methylpentan-2-ylamino)ethanol
CID 54950007
1-(2-chlorophenyl)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]ethanol
CID 81378384
(1S)-1-(2-chlorophenyl)-2-(propan-2-ylamino)ethanol;hydrochloride
CID 76957004
(1R)-1-(4-methylsulfonylphenyl)-2-[[(2S,3S)-3-pyrazol-1-ylbutan-2-yl]amino]ethanol
CID 95340057
sodium;1-(2-chlorophenyl)-2-(propan-2-ylamino)ethanol;hydride;hydrate;hydrochloride
CID 173081164
1-(2-chlorophenyl)-2-(pentan-2-ylamino)ethanol
CID 60898219
1-(2-chlorophenyl)-2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]ethanol
CID 81380433
(2R,3S)-N-(2-phenylethyl)-3-pyrazol-1-ylbutan-2-amine
CID 95346375
(2R,3S)-3-pyrazol-1-yl-N-(pyridin-2-ylmethyl)butan-2-amine
CID 95274019
(2R,3S)-N-[(5-chlorofuran-2-yl)methyl]-3-pyrazol-1-ylbutan-2-amine
CID 95276291
1-(2-chlorophenyl)-2-(hydroxyamino)ethanol
CID 82111679

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-chlorophenyl)-2-[[(2S,3S)-3-pyrazol-1-ylbutan-2-yl]amino]ethanol?
The IUPAC name of (1S)-1-(2-chlorophenyl)-2-[[(2S,3S)-3-pyrazol-1-ylbutan-2-yl]amino]ethanol (CID 124824047) is (1S)-1-(2-chlorophenyl)-2-[[(2S,3S)-3-pyrazol-1-ylbutan-2-yl]amino]ethanol.
What is the SMILES notation for (1S)-1-(2-chlorophenyl)-2-[[(2S,3S)-3-pyrazol-1-ylbutan-2-yl]amino]ethanol?
The canonical SMILES for (1S)-1-(2-chlorophenyl)-2-[[(2S,3S)-3-pyrazol-1-ylbutan-2-yl]amino]ethanol is C[C@H](NC[C@@H](O)c1ccccc1Cl)[C@H](C)n1cccn1.
What is the InChIKey of (1S)-1-(2-chlorophenyl)-2-[[(2S,3S)-3-pyrazol-1-ylbutan-2-yl]amino]ethanol?
The InChIKey is FVRMCZYCHFNMFI-SLEUVZQESA-N. The full InChI is InChI=1S/C15H20ClN3O/c1-11(12(2)19-9-5-8-18-19)17-10-15(20)13-6-3-4-7-14(13)16/h3-9,11-12,15,17,20H,10H2,1-2H3/t11-,12-,15+/m0/s1.
What are the key properties of (1S)-1-(2-chlorophenyl)-2-[[(2S,3S)-3-pyrazol-1-ylbutan-2-yl]amino]ethanol?
(1S)-1-(2-chlorophenyl)-2-[[(2S,3S)-3-pyrazol-1-ylbutan-2-yl]amino]ethanol has a molecular weight of 293.80 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-chlorophenyl)-2-[[(2S,3S)-3-pyrazol-1-ylbutan-2-yl]amino]ethanol is sourced from PubChem (CID 124824047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).