2-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methylamino]-1-(4-methoxyphenyl)ethanol

C16H22ClN3O2 — CID 111421648

IUPAC2-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methylamino]-1-(4-methoxyphenyl)ethanol
SMILESCCc1nn(C)c(Cl)c1CNCC(O)c1ccc(OC)cc1
InChIInChI=1S/C16H22ClN3O2/c1-4-14-13(16(17)20(2)19-14)9-18-10-15(21)11-5-7-12(22-3)8-6-11/h5-8,15,18,21H,4,9-10H2,1-3H3
InChIKeyYJQHMHLQTGNEBB-UHFFFAOYSA-N
MW323.82 g/mol
LogP2.47
Rot. Bonds7

About 2-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methylamino]-1-(4-methoxyphenyl)ethanol

2-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methylamino]-1-(4-methoxyphenyl)ethanol (PubChem CID 111421648) has the molecular formula C16H22ClN3O2 and a molecular weight of 323.82 g/mol. Its IUPAC name is 2-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methylamino]-1-(4-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methylamino]-1-(4-methoxyphenyl)ethanol
PubChem CID111421648
Molecular FormulaC16H22ClN3O2
Molecular Weight323.82 g/mol
Exact Mass323.14
IUPAC Name2-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methylamino]-1-(4-methoxyphenyl)ethanol
SMILESCCc1nn(C)c(Cl)c1CNCC(O)c1ccc(OC)cc1
InChIInChI=1S/C16H22ClN3O2/c1-4-14-13(16(17)20(2)19-14)9-18-10-15(21)11-5-7-12(22-3)8-6-11/h5-8,15,18,21H,4,9-10H2,1-3H3
InChIKeyYJQHMHLQTGNEBB-UHFFFAOYSA-N
XLogP2.47
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.82
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]-1-(4-methoxyphenyl)ethanol
CID 109479376
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]acetamide
CID 110027918
1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol
CID 111421651
2-[(4-methoxyphenyl)methylamino]-1-(4-methylphenyl)ethanol
CID 82312256
(1R)-2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]-1-(4-methoxyphenyl)ethanol
CID 94182625
N-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-2-ethoxyethanamine
CID 115630423
2-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methylamino]propane-1,3-diol
CID 115655448
N-ethyl-2-[[2-hydroxy-2-(4-methoxyphenyl)ethyl]amino]acetamide
CID 54938253
1-(4-methoxyphenyl)-2-(prop-2-ynylamino)ethanol
CID 60903384
N-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-3-fluoropropan-1-amine
CID 115732900
2-(4-ethylanilino)-1-(4-methoxyphenyl)ethanol
CID 60901649
1-(4-methoxyphenyl)-2-[(1-methylpyrazol-3-yl)amino]ethanol
CID 79778765

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methylamino]-1-(4-methoxyphenyl)ethanol?
The IUPAC name of 2-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methylamino]-1-(4-methoxyphenyl)ethanol (CID 111421648) is 2-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methylamino]-1-(4-methoxyphenyl)ethanol.
What is the SMILES notation for 2-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methylamino]-1-(4-methoxyphenyl)ethanol?
The canonical SMILES for 2-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methylamino]-1-(4-methoxyphenyl)ethanol is CCc1nn(C)c(Cl)c1CNCC(O)c1ccc(OC)cc1.
What is the InChIKey of 2-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methylamino]-1-(4-methoxyphenyl)ethanol?
The InChIKey is YJQHMHLQTGNEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O2/c1-4-14-13(16(17)20(2)19-14)9-18-10-15(21)11-5-7-12(22-3)8-6-11/h5-8,15,18,21H,4,9-10H2,1-3H3.
What are the key properties of 2-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methylamino]-1-(4-methoxyphenyl)ethanol?
2-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methylamino]-1-(4-methoxyphenyl)ethanol has a molecular weight of 323.82 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methylamino]-1-(4-methoxyphenyl)ethanol is sourced from PubChem (CID 111421648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).