4-[1-[(1-methylpyrazol-4-yl)amino]ethyl]phenol

C12H15N3O — CID 43534964

IUPAC4-[1-[(1-methylpyrazol-4-yl)amino]ethyl]phenol
SMILESCC(Nc1cnn(C)c1)c1ccc(O)cc1
InChIInChI=1S/C12H15N3O/c1-9(10-3-5-12(16)6-4-10)14-11-7-13-15(2)8-11/h3-9,14,16H,1-2H3
InChIKeyVECZHPDRZWYVLA-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.30
Rot. Bonds3

About 4-[1-[(1-methylpyrazol-4-yl)amino]ethyl]phenol

4-[1-[(1-methylpyrazol-4-yl)amino]ethyl]phenol (PubChem CID 43534964) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 4-[1-[(1-methylpyrazol-4-yl)amino]ethyl]phenol.

Molecular Properties

Compound Name4-[1-[(1-methylpyrazol-4-yl)amino]ethyl]phenol
PubChem CID43534964
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name4-[1-[(1-methylpyrazol-4-yl)amino]ethyl]phenol
SMILESCC(Nc1cnn(C)c1)c1ccc(O)cc1
InChIInChI=1S/C12H15N3O/c1-9(10-3-5-12(16)6-4-10)14-11-7-13-15(2)8-11/h3-9,14,16H,1-2H3
InChIKeyVECZHPDRZWYVLA-UHFFFAOYSA-N
XLogP2.30
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[1-[(1-methylpyrazol-4-yl)amino]ethyl]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

1-methyl-N-(1-thiophen-3-ylethyl)pyrazol-4-amine
CID 62090667
4-[3-[(1-methylpyrazol-4-yl)amino]butyl]phenol
CID 43534909
2-[4-[1-(4-hydroxyphenyl)ethylamino]pyrazol-1-yl]-N-methylacetamide
CID 60932192
N-[1-(4-cyclopentylsulfonylphenyl)ethyl]-1-methylpyrazol-4-amine
CID 86793729
1-methyl-N-propan-2-ylpyrazol-4-amine;hydrochloride
CID 155858284
5-[1-(4-hydroxyphenyl)ethylamino]-1-methylpyridin-2-one
CID 54866004
N-[1-(5-bromothiophen-2-yl)ethyl]-1-methylpyrazol-4-amine
CID 61000192
N-[1-(4-methylphenyl)ethyl]-1-propan-2-ylpyrazol-4-amine
CID 62902276
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-methylpyrazol-4-amine
CID 65192064
N-[1-(3-bromothiophen-2-yl)ethyl]-1-methylpyrazol-4-amine
CID 43776723
4-hydroxy-N-(1-methylpyrazol-4-yl)benzenesulfonamide
CID 43535283
N-[1-(4-tert-butylphenyl)ethyl]-1-propan-2-ylpyrazol-4-amine
CID 62904585

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(1-methylpyrazol-4-yl)amino]ethyl]phenol?
The IUPAC name of 4-[1-[(1-methylpyrazol-4-yl)amino]ethyl]phenol (CID 43534964) is 4-[1-[(1-methylpyrazol-4-yl)amino]ethyl]phenol.
What is the SMILES notation for 4-[1-[(1-methylpyrazol-4-yl)amino]ethyl]phenol?
The canonical SMILES for 4-[1-[(1-methylpyrazol-4-yl)amino]ethyl]phenol is CC(Nc1cnn(C)c1)c1ccc(O)cc1.
What is the InChIKey of 4-[1-[(1-methylpyrazol-4-yl)amino]ethyl]phenol?
The InChIKey is VECZHPDRZWYVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-9(10-3-5-12(16)6-4-10)14-11-7-13-15(2)8-11/h3-9,14,16H,1-2H3.
What are the key properties of 4-[1-[(1-methylpyrazol-4-yl)amino]ethyl]phenol?
4-[1-[(1-methylpyrazol-4-yl)amino]ethyl]phenol has a molecular weight of 217.27 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(1-methylpyrazol-4-yl)amino]ethyl]phenol is sourced from PubChem (CID 43534964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).