2-(4-chloroanilino)-2-(1,3-dimethylpyrazol-4-yl)ethanol

C13H16ClN3O — CID 83090064

IUPAC2-(4-chloroanilino)-2-(1,3-dimethylpyrazol-4-yl)ethanol
SMILESCc1nn(C)cc1C(CO)Nc1ccc(Cl)cc1
InChIInChI=1S/C13H16ClN3O/c1-9-12(7-17(2)16-9)13(8-18)15-11-5-3-10(14)4-6-11/h3-7,13,15,18H,8H2,1-2H3
InChIKeyZFYRZOOPHXRYOK-UHFFFAOYSA-N
MW265.74 g/mol
LogP2.53
Rot. Bonds4

About 2-(4-chloroanilino)-2-(1,3-dimethylpyrazol-4-yl)ethanol

2-(4-chloroanilino)-2-(1,3-dimethylpyrazol-4-yl)ethanol (PubChem CID 83090064) has the molecular formula C13H16ClN3O and a molecular weight of 265.74 g/mol. Its IUPAC name is 2-(4-chloroanilino)-2-(1,3-dimethylpyrazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(4-chloroanilino)-2-(1,3-dimethylpyrazol-4-yl)ethanol
PubChem CID83090064
Molecular FormulaC13H16ClN3O
Molecular Weight265.74 g/mol
Exact Mass265.10
IUPAC Name2-(4-chloroanilino)-2-(1,3-dimethylpyrazol-4-yl)ethanol
SMILESCc1nn(C)cc1C(CO)Nc1ccc(Cl)cc1
InChIInChI=1S/C13H16ClN3O/c1-9-12(7-17(2)16-9)13(8-18)15-11-5-3-10(14)4-6-11/h3-7,13,15,18H,8H2,1-2H3
InChIKeyZFYRZOOPHXRYOK-UHFFFAOYSA-N
XLogP2.53
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloroanilino)-2-(1,5-dimethylpyrazol-4-yl)ethanol
CID 79584301
N-(3-bromo-4-fluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethane-1,2-diamine
CID 104776437
4-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]phenol
CID 65197115
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-methylaniline
CID 65191898
2-(3-bromo-4-chloroanilino)-2-(3-ethyl-1-methylpyrazol-4-yl)ethanol
CID 115990580
2-(2-bromo-5-chlorophenyl)-2-(4-chloroanilino)ethanol
CID 66156093
N-(4-chlorophenyl)-2-[(1,3-dimethylpyrazol-4-yl)amino]acetamide
CID 102805280
2-amino-2-(1,3-dimethylpyrazol-4-yl)ethanol
CID 83091814
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-iodoaniline
CID 65192267
2-chloro-4-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]phenol
CID 107678355
2-(4-chloroanilino)-2-(3-chloro-2-fluorophenyl)ethanol
CID 114488490
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-(1,3-dimethylpyrazol-4-yl)propanamide
CID 110004583

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloroanilino)-2-(1,3-dimethylpyrazol-4-yl)ethanol?
The IUPAC name of 2-(4-chloroanilino)-2-(1,3-dimethylpyrazol-4-yl)ethanol (CID 83090064) is 2-(4-chloroanilino)-2-(1,3-dimethylpyrazol-4-yl)ethanol.
What is the SMILES notation for 2-(4-chloroanilino)-2-(1,3-dimethylpyrazol-4-yl)ethanol?
The canonical SMILES for 2-(4-chloroanilino)-2-(1,3-dimethylpyrazol-4-yl)ethanol is Cc1nn(C)cc1C(CO)Nc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chloroanilino)-2-(1,3-dimethylpyrazol-4-yl)ethanol?
The InChIKey is ZFYRZOOPHXRYOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O/c1-9-12(7-17(2)16-9)13(8-18)15-11-5-3-10(14)4-6-11/h3-7,13,15,18H,8H2,1-2H3.
What are the key properties of 2-(4-chloroanilino)-2-(1,3-dimethylpyrazol-4-yl)ethanol?
2-(4-chloroanilino)-2-(1,3-dimethylpyrazol-4-yl)ethanol has a molecular weight of 265.74 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloroanilino)-2-(1,3-dimethylpyrazol-4-yl)ethanol is sourced from PubChem (CID 83090064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).