2-(4-chlorophenyl)-2-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]ethanol

C14H18ClN3O — CID 110011147

IUPAC2-(4-chlorophenyl)-2-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]ethanol
SMILESCc1[nH]ncc1C(C)NC(CO)c1ccc(Cl)cc1
InChIInChI=1S/C14H18ClN3O/c1-9(13-7-16-18-10(13)2)17-14(8-19)11-3-5-12(15)6-4-11/h3-7,9,14,17,19H,8H2,1-2H3,(H,16,18)
InChIKeyXHBHQEUBSDTKAC-UHFFFAOYSA-N
MW279.77 g/mol
LogP2.76
Rot. Bonds5

About 2-(4-chlorophenyl)-2-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]ethanol

2-(4-chlorophenyl)-2-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]ethanol (PubChem CID 110011147) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]ethanol.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]ethanol
PubChem CID110011147
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC Name2-(4-chlorophenyl)-2-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]ethanol
SMILESCc1[nH]ncc1C(C)NC(CO)c1ccc(Cl)cc1
InChIInChI=1S/C14H18ClN3O/c1-9(13-7-16-18-10(13)2)17-14(8-19)11-3-5-12(15)6-4-11/h3-7,9,14,17,19H,8H2,1-2H3,(H,16,18)
InChIKeyXHBHQEUBSDTKAC-UHFFFAOYSA-N
XLogP2.76
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(4-chlorophenyl)-2-(propan-2-ylamino)ethanol
CID 93470492
(2R)-2-(4-chlorophenyl)-2-[[(1R)-1-(5-methylfuran-2-yl)ethyl]amino]ethanol
CID 97056665
3-methyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]butan-2-amine
CID 115970374
1-(4-chlorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 43663590
4-[1-[[1-(4-chlorophenyl)-2-hydroxyethyl]amino]ethyl]-3-fluorobenzonitrile
CID 110028663
5-methyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]hexan-2-amine
CID 115970276
(2S)-2-phenyl-2-[1-(2,3,4-trichlorophenyl)ethylamino]ethanol
CID 103783992
4-methyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]hexan-2-amine
CID 115972844
1-(4-chlorophenyl)-2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 43687623
1-(4-chlorophenyl)-N-[(1S)-1-(4-chlorophenyl)ethyl]propan-1-amine
CID 81352929
N-[1-(4-chlorophenyl)propyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 61275711
1-ethylsulfanyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]propan-2-amine
CID 115972460

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]ethanol?
The IUPAC name of 2-(4-chlorophenyl)-2-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]ethanol (CID 110011147) is 2-(4-chlorophenyl)-2-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]ethanol.
What is the SMILES notation for 2-(4-chlorophenyl)-2-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]ethanol?
The canonical SMILES for 2-(4-chlorophenyl)-2-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]ethanol is Cc1[nH]ncc1C(C)NC(CO)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-2-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]ethanol?
The InChIKey is XHBHQEUBSDTKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O/c1-9(13-7-16-18-10(13)2)17-14(8-19)11-3-5-12(15)6-4-11/h3-7,9,14,17,19H,8H2,1-2H3,(H,16,18).
What are the key properties of 2-(4-chlorophenyl)-2-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]ethanol?
2-(4-chlorophenyl)-2-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]ethanol has a molecular weight of 279.77 g/mol, XLogP of 2.76, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]ethanol is sourced from PubChem (CID 110011147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).