2-[[2-(2-chlorophenyl)-1-(furan-3-yl)ethyl]amino]-1-(1-methylpyrazol-4-yl)ethanol

C18H20ClN3O2 — CID 154759565

IUPAC2-[[2-(2-chlorophenyl)-1-(furan-3-yl)ethyl]amino]-1-(1-methylpyrazol-4-yl)ethanol
SMILESCn1cc(C(O)CNC(Cc2ccccc2Cl)c2ccoc2)cn1
InChIInChI=1S/C18H20ClN3O2/c1-22-11-15(9-21-22)18(23)10-20-17(14-6-7-24-12-14)8-13-4-2-3-5-16(13)19/h2-7,9,11-12,17-18,20,23H,8,10H2,1H3
InChIKeyWIPYNKSXKOMAIQ-UHFFFAOYSA-N
MW345.83 g/mol
LogP3.27
Rot. Bonds7

About 2-[[2-(2-chlorophenyl)-1-(furan-3-yl)ethyl]amino]-1-(1-methylpyrazol-4-yl)ethanol

2-[[2-(2-chlorophenyl)-1-(furan-3-yl)ethyl]amino]-1-(1-methylpyrazol-4-yl)ethanol (PubChem CID 154759565) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is 2-[[2-(2-chlorophenyl)-1-(furan-3-yl)ethyl]amino]-1-(1-methylpyrazol-4-yl)ethanol.

Molecular Properties

Compound Name2-[[2-(2-chlorophenyl)-1-(furan-3-yl)ethyl]amino]-1-(1-methylpyrazol-4-yl)ethanol
PubChem CID154759565
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC Name2-[[2-(2-chlorophenyl)-1-(furan-3-yl)ethyl]amino]-1-(1-methylpyrazol-4-yl)ethanol
SMILESCn1cc(C(O)CNC(Cc2ccccc2Cl)c2ccoc2)cn1
InChIInChI=1S/C18H20ClN3O2/c1-22-11-15(9-21-22)18(23)10-20-17(14-6-7-24-12-14)8-13-4-2-3-5-16(13)19/h2-7,9,11-12,17-18,20,23H,8,10H2,1H3
InChIKeyWIPYNKSXKOMAIQ-UHFFFAOYSA-N
XLogP3.27
TPSA63.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,3-dichlorophenyl)-N-ethyl-1-(furan-3-yl)ethanamine
CID 107308628
2-(2-chloro-4-methylphenyl)-1-(1-methylpyrazol-4-yl)ethanol
CID 106866193
(1S)-2-[(10-chloroanthracen-9-yl)methylamino]-1-(1-methylpyrazol-4-yl)ethanol
CID 99811946
2-(3-methylpentan-2-ylamino)-1-(1-methylpyrazol-4-yl)ethanol
CID 115723874
2-(3-chloro-2-fluorophenyl)-1-(furan-3-yl)-N-methylethanamine
CID 82806792
N-methyl-2-(2-methylphenyl)-1-(1-methylpyrazol-4-yl)ethanamine
CID 43485902
(1R)-1-(4-chlorophenyl)-2-[1-(2-chlorophenyl)propan-2-ylamino]ethanol
CID 70002682
2-(hexan-3-ylamino)-1-(1-methylpyrazol-4-yl)ethanol
CID 115905958
[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-(1-methylpyrazol-4-yl)methanamine
CID 115288896
N-[2-(2-fluorophenyl)-1-(furan-3-yl)ethyl]propan-1-amine
CID 61064181
2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(furan-3-yl)ethanamine
CID 63949608
1-[1-(3-chlorophenyl)propyl]-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]urea
CID 71990564

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-chlorophenyl)-1-(furan-3-yl)ethyl]amino]-1-(1-methylpyrazol-4-yl)ethanol?
The IUPAC name of 2-[[2-(2-chlorophenyl)-1-(furan-3-yl)ethyl]amino]-1-(1-methylpyrazol-4-yl)ethanol (CID 154759565) is 2-[[2-(2-chlorophenyl)-1-(furan-3-yl)ethyl]amino]-1-(1-methylpyrazol-4-yl)ethanol.
What is the SMILES notation for 2-[[2-(2-chlorophenyl)-1-(furan-3-yl)ethyl]amino]-1-(1-methylpyrazol-4-yl)ethanol?
The canonical SMILES for 2-[[2-(2-chlorophenyl)-1-(furan-3-yl)ethyl]amino]-1-(1-methylpyrazol-4-yl)ethanol is Cn1cc(C(O)CNC(Cc2ccccc2Cl)c2ccoc2)cn1.
What is the InChIKey of 2-[[2-(2-chlorophenyl)-1-(furan-3-yl)ethyl]amino]-1-(1-methylpyrazol-4-yl)ethanol?
The InChIKey is WIPYNKSXKOMAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2/c1-22-11-15(9-21-22)18(23)10-20-17(14-6-7-24-12-14)8-13-4-2-3-5-16(13)19/h2-7,9,11-12,17-18,20,23H,8,10H2,1H3.
What are the key properties of 2-[[2-(2-chlorophenyl)-1-(furan-3-yl)ethyl]amino]-1-(1-methylpyrazol-4-yl)ethanol?
2-[[2-(2-chlorophenyl)-1-(furan-3-yl)ethyl]amino]-1-(1-methylpyrazol-4-yl)ethanol has a molecular weight of 345.83 g/mol, XLogP of 3.27, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-chlorophenyl)-1-(furan-3-yl)ethyl]amino]-1-(1-methylpyrazol-4-yl)ethanol is sourced from PubChem (CID 154759565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).