1-(2-chlorophenyl)-2-(1-pyrazol-1-ylpropan-2-ylamino)ethanol

C14H18ClN3O — CID 61459886

IUPAC1-(2-chlorophenyl)-2-(1-pyrazol-1-ylpropan-2-ylamino)ethanol
SMILESCC(Cn1cccn1)NCC(O)c1ccccc1Cl
InChIInChI=1S/C14H18ClN3O/c1-11(10-18-8-4-7-17-18)16-9-14(19)12-5-2-3-6-13(12)15/h2-8,11,14,16,19H,9-10H2,1H3
InChIKeyKJUIQNREKQAJJE-UHFFFAOYSA-N
MW279.77 g/mol
LogP2.25
Rot. Bonds6

About 1-(2-chlorophenyl)-2-(1-pyrazol-1-ylpropan-2-ylamino)ethanol

1-(2-chlorophenyl)-2-(1-pyrazol-1-ylpropan-2-ylamino)ethanol (PubChem CID 61459886) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2-(1-pyrazol-1-ylpropan-2-ylamino)ethanol.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2-(1-pyrazol-1-ylpropan-2-ylamino)ethanol
PubChem CID61459886
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC Name1-(2-chlorophenyl)-2-(1-pyrazol-1-ylpropan-2-ylamino)ethanol
SMILESCC(Cn1cccn1)NCC(O)c1ccccc1Cl
InChIInChI=1S/C14H18ClN3O/c1-11(10-18-8-4-7-17-18)16-9-14(19)12-5-2-3-6-13(12)15/h2-8,11,14,16,19H,9-10H2,1H3
InChIKeyKJUIQNREKQAJJE-UHFFFAOYSA-N
XLogP2.25
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-(2,5-difluorophenyl)-2-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]ethanol
CID 94200232
(1R)-1-(2,5-difluorophenyl)-2-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]ethanol
CID 94200233
(1S)-1-(2-chlorophenyl)-2-[[(2S,3S)-3-pyrazol-1-ylbutan-2-yl]amino]ethanol
CID 124824047
1-(2-chlorophenyl)-2-(pentan-2-ylamino)ethanol
CID 60898219
1-(2,4-dichlorophenyl)-2-(4-pyrazol-1-ylbutan-2-ylamino)ethanol
CID 110012191
1-(4-methoxyphenyl)-2-(1-pyrazol-1-ylpropan-2-ylamino)ethanol
CID 56828855
1-(1-pyrazol-1-ylpropan-2-ylamino)butan-2-ol
CID 61462811
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
1-(2-chlorophenyl)-2-(3-methylpentan-2-ylamino)ethanol
CID 54950007
1-(2-fluorophenyl)-2-(1-imidazol-1-ylpropan-2-ylamino)ethanol
CID 61479260
(1R)-1-(2-chlorophenyl)-2-[1-(2-methylphenyl)propan-2-ylamino]ethanol
CID 70004278

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-2-(1-pyrazol-1-ylpropan-2-ylamino)ethanol?
The IUPAC name of 1-(2-chlorophenyl)-2-(1-pyrazol-1-ylpropan-2-ylamino)ethanol (CID 61459886) is 1-(2-chlorophenyl)-2-(1-pyrazol-1-ylpropan-2-ylamino)ethanol.
What is the SMILES notation for 1-(2-chlorophenyl)-2-(1-pyrazol-1-ylpropan-2-ylamino)ethanol?
The canonical SMILES for 1-(2-chlorophenyl)-2-(1-pyrazol-1-ylpropan-2-ylamino)ethanol is CC(Cn1cccn1)NCC(O)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-2-(1-pyrazol-1-ylpropan-2-ylamino)ethanol?
The InChIKey is KJUIQNREKQAJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O/c1-11(10-18-8-4-7-17-18)16-9-14(19)12-5-2-3-6-13(12)15/h2-8,11,14,16,19H,9-10H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-2-(1-pyrazol-1-ylpropan-2-ylamino)ethanol?
1-(2-chlorophenyl)-2-(1-pyrazol-1-ylpropan-2-ylamino)ethanol has a molecular weight of 279.77 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-2-(1-pyrazol-1-ylpropan-2-ylamino)ethanol is sourced from PubChem (CID 61459886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).