1-(2-amino-3-methoxyphenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanol

C14H18ClN3O2 — CID 107469558

IUPAC1-(2-amino-3-methoxyphenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanol
SMILESCOc1cccc(C(O)Cc2c(C)nn(C)c2Cl)c1N
InChIInChI=1S/C14H18ClN3O2/c1-8-10(14(15)18(2)17-8)7-11(19)9-5-4-6-12(20-3)13(9)16/h4-6,11,19H,7,16H2,1-3H3
InChIKeyXZIWBKVBTCKGKV-UHFFFAOYSA-N
MW295.77 g/mol
LogP2.25
Rot. Bonds4

About 1-(2-amino-3-methoxyphenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanol

1-(2-amino-3-methoxyphenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanol (PubChem CID 107469558) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is 1-(2-amino-3-methoxyphenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanol.

Molecular Properties

Compound Name1-(2-amino-3-methoxyphenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanol
PubChem CID107469558
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC Name1-(2-amino-3-methoxyphenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanol
SMILESCOc1cccc(C(O)Cc2c(C)nn(C)c2Cl)c1N
InChIInChI=1S/C14H18ClN3O2/c1-8-10(14(15)18(2)17-8)7-11(19)9-5-4-6-12(20-3)13(9)16/h4-6,11,19H,7,16H2,1-3H3
InChIKeyXZIWBKVBTCKGKV-UHFFFAOYSA-N
XLogP2.25
TPSA73.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(3-bromo-2-methylphenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanol
CID 115832418
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2-fluorophenyl)ethanol
CID 113470074
1-(2-amino-3-methoxyphenyl)-2-(4-chlorophenyl)ethanol
CID 107469515
1-(4-aminophenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanol
CID 106695531
[2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2-methoxy-3-pyridinyl)ethyl]hydrazine
CID 105334017
1-(2-amino-3-methoxyphenyl)-2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)ethanol
CID 107469351
1-(4-bromo-2-methoxyphenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanamine
CID 105035188
1-(2-amino-3-methoxyphenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol
CID 107469348
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2,3,4-trifluorophenyl)ethanol
CID 115832377
(R)-(5-chloro-1,3-dimethylpyrazol-4-yl)-(2-chloro-3-methoxyphenyl)methanol
CID 95559607
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(3,6-dimethylpyridazin-4-yl)ethanol
CID 105125344
1-(3-bromo-2-methylphenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanamine
CID 105035077

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-3-methoxyphenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanol?
The IUPAC name of 1-(2-amino-3-methoxyphenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanol (CID 107469558) is 1-(2-amino-3-methoxyphenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanol.
What is the SMILES notation for 1-(2-amino-3-methoxyphenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanol?
The canonical SMILES for 1-(2-amino-3-methoxyphenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanol is COc1cccc(C(O)Cc2c(C)nn(C)c2Cl)c1N.
What is the InChIKey of 1-(2-amino-3-methoxyphenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanol?
The InChIKey is XZIWBKVBTCKGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2/c1-8-10(14(15)18(2)17-8)7-11(19)9-5-4-6-12(20-3)13(9)16/h4-6,11,19H,7,16H2,1-3H3.
What are the key properties of 1-(2-amino-3-methoxyphenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanol?
1-(2-amino-3-methoxyphenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanol has a molecular weight of 295.77 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-3-methoxyphenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanol is sourced from PubChem (CID 107469558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).