2-chloro-4-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]phenol

C13H16ClN3O — CID 107678355

IUPAC2-chloro-4-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]phenol
SMILESCc1nn(C)cc1C(C)Nc1ccc(O)c(Cl)c1
InChIInChI=1S/C13H16ClN3O/c1-8(11-7-17(3)16-9(11)2)15-10-4-5-13(18)12(14)6-10/h4-8,15,18H,1-3H3
InChIKeyFTCNYNJEZJPKKZ-UHFFFAOYSA-N
MW265.74 g/mol
LogP3.26
Rot. Bonds3

About 2-chloro-4-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]phenol

2-chloro-4-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]phenol (PubChem CID 107678355) has the molecular formula C13H16ClN3O and a molecular weight of 265.74 g/mol. Its IUPAC name is 2-chloro-4-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]phenol.

Molecular Properties

Compound Name2-chloro-4-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]phenol
PubChem CID107678355
Molecular FormulaC13H16ClN3O
Molecular Weight265.74 g/mol
Exact Mass265.10
IUPAC Name2-chloro-4-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]phenol
SMILESCc1nn(C)cc1C(C)Nc1ccc(O)c(Cl)c1
InChIInChI=1S/C13H16ClN3O/c1-8(11-7-17(3)16-9(11)2)15-10-4-5-13(18)12(14)6-10/h4-8,15,18H,1-3H3
InChIKeyFTCNYNJEZJPKKZ-UHFFFAOYSA-N
XLogP3.26
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-chloro-4-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-nitroaniline
CID 82864957
4-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]phenol
CID 65197115
methyl 2-chloro-5-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]benzoate
CID 65192423
2-chloro-5-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]benzonitrile
CID 65191967
3-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]phenol
CID 65191851
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-methylaniline
CID 65191898
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-iodoaniline
CID 65192267
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3,5-dimethylaniline
CID 65192459
3-bromo-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]aniline
CID 65192307
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1H-indol-5-amine
CID 65192008
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-benzothiophen-5-amine
CID 65192021
4-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-N,N-dimethylbenzamide
CID 65192374

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]phenol?
The IUPAC name of 2-chloro-4-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]phenol (CID 107678355) is 2-chloro-4-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]phenol.
What is the SMILES notation for 2-chloro-4-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]phenol?
The canonical SMILES for 2-chloro-4-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]phenol is Cc1nn(C)cc1C(C)Nc1ccc(O)c(Cl)c1.
What is the InChIKey of 2-chloro-4-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]phenol?
The InChIKey is FTCNYNJEZJPKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O/c1-8(11-7-17(3)16-9(11)2)15-10-4-5-13(18)12(14)6-10/h4-8,15,18H,1-3H3.
What are the key properties of 2-chloro-4-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]phenol?
2-chloro-4-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]phenol has a molecular weight of 265.74 g/mol, XLogP of 3.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]phenol is sourced from PubChem (CID 107678355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).