2-amino-1-[4-(4-chloropyrazol-1-yl)phenyl]ethanol

C11H12ClN3O — CID 117348093

IUPAC2-amino-1-[4-(4-chloropyrazol-1-yl)phenyl]ethanol
SMILESNCC(O)c1ccc(-n2cc(Cl)cn2)cc1
InChIInChI=1S/C11H12ClN3O/c12-9-6-14-15(7-9)10-3-1-8(2-4-10)11(16)5-13/h1-4,6-7,11,16H,5,13H2
InChIKeyVTBIOKINFWVTOZ-UHFFFAOYSA-N
MW237.69 g/mol
LogP1.52
Rot. Bonds3

About 2-amino-1-[4-(4-chloropyrazol-1-yl)phenyl]ethanol

2-amino-1-[4-(4-chloropyrazol-1-yl)phenyl]ethanol (PubChem CID 117348093) has the molecular formula C11H12ClN3O and a molecular weight of 237.69 g/mol. Its IUPAC name is 2-amino-1-[4-(4-chloropyrazol-1-yl)phenyl]ethanol.

Molecular Properties

Compound Name2-amino-1-[4-(4-chloropyrazol-1-yl)phenyl]ethanol
PubChem CID117348093
Molecular FormulaC11H12ClN3O
Molecular Weight237.69 g/mol
Exact Mass237.07
IUPAC Name2-amino-1-[4-(4-chloropyrazol-1-yl)phenyl]ethanol
SMILESNCC(O)c1ccc(-n2cc(Cl)cn2)cc1
InChIInChI=1S/C11H12ClN3O/c12-9-6-14-15(7-9)10-3-1-8(2-4-10)11(16)5-13/h1-4,6-7,11,16H,5,13H2
InChIKeyVTBIOKINFWVTOZ-UHFFFAOYSA-N
XLogP1.52
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-[4-(4-chloropyrazol-1-yl)phenyl]ethanamine
CID 78937576
1-[4-(4-chloropyrazol-1-yl)phenyl]-N-methylpropan-1-amine
CID 114066392
4-(4-chloropyrazol-1-yl)benzaldehyde
CID 61034878
1-[4-(4-chloropyrazol-1-yl)phenyl]cyclopropan-1-amine
CID 117339692
2-amino-1-[1-(3-methylphenyl)pyrazol-4-yl]ethanol
CID 83887534
4-chloro-1-(4-nitrophenyl)pyrazole
CID 23036556
4-chloro-1-(3,5-dichlorophenyl)pyrazole
CID 117063020
1-[3-chloro-4-(4-chloropyrazol-1-yl)phenyl]ethanol
CID 62912532
N-[4-(4-chloropyrazol-1-yl)phenyl]formamide
CID 168653170
1-[4-(4-chloropyrazol-1-yl)phenyl]-3-phenylurea
CID 35521242
3-[4-(4-chloropyrazol-1-yl)phenyl]-1-methylpyrazol-5-amine
CID 117437065
(1S)-1-[4-(4-chloropyrazol-1-yl)-3-fluorophenyl]ethanol
CID 78941313

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(4-chloropyrazol-1-yl)phenyl]ethanol?
The IUPAC name of 2-amino-1-[4-(4-chloropyrazol-1-yl)phenyl]ethanol (CID 117348093) is 2-amino-1-[4-(4-chloropyrazol-1-yl)phenyl]ethanol.
What is the SMILES notation for 2-amino-1-[4-(4-chloropyrazol-1-yl)phenyl]ethanol?
The canonical SMILES for 2-amino-1-[4-(4-chloropyrazol-1-yl)phenyl]ethanol is NCC(O)c1ccc(-n2cc(Cl)cn2)cc1.
What is the InChIKey of 2-amino-1-[4-(4-chloropyrazol-1-yl)phenyl]ethanol?
The InChIKey is VTBIOKINFWVTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O/c12-9-6-14-15(7-9)10-3-1-8(2-4-10)11(16)5-13/h1-4,6-7,11,16H,5,13H2.
What are the key properties of 2-amino-1-[4-(4-chloropyrazol-1-yl)phenyl]ethanol?
2-amino-1-[4-(4-chloropyrazol-1-yl)phenyl]ethanol has a molecular weight of 237.69 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(4-chloropyrazol-1-yl)phenyl]ethanol is sourced from PubChem (CID 117348093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).