4-[1-(1H-pyrazol-4-ylamino)ethyl]benzene-1,3-diol

C11H13N3O2 — CID 43540011

IUPAC4-[1-(1H-pyrazol-4-ylamino)ethyl]benzene-1,3-diol
SMILESCC(Nc1cn[nH]c1)c1ccc(O)cc1O
InChIInChI=1S/C11H13N3O2/c1-7(14-8-5-12-13-6-8)10-3-2-9(15)4-11(10)16/h2-7,14-16H,1H3,(H,12,13)
InChIKeyZKEBZPYBZBRDJT-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.99
Rot. Bonds3

About 4-[1-(1H-pyrazol-4-ylamino)ethyl]benzene-1,3-diol

4-[1-(1H-pyrazol-4-ylamino)ethyl]benzene-1,3-diol (PubChem CID 43540011) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 4-[1-(1H-pyrazol-4-ylamino)ethyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[1-(1H-pyrazol-4-ylamino)ethyl]benzene-1,3-diol
PubChem CID43540011
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name4-[1-(1H-pyrazol-4-ylamino)ethyl]benzene-1,3-diol
SMILESCC(Nc1cn[nH]c1)c1ccc(O)cc1O
InChIInChI=1S/C11H13N3O2/c1-7(14-8-5-12-13-6-8)10-3-2-9(15)4-11(10)16/h2-7,14-16H,1H3,(H,12,13)
InChIKeyZKEBZPYBZBRDJT-UHFFFAOYSA-N
XLogP1.99
TPSA81.17 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

4-(1-anilinoethyl)benzene-1,3-diol
CID 43189993
4-[1-(3,5-dichloro-4-fluoroanilino)ethyl]benzene-1,3-diol
CID 107572336
4-[1-(1H-indazol-7-ylamino)ethyl]benzene-1,3-diol
CID 43730995
N-(1-naphthalen-1-ylethyl)-1H-pyrazol-4-amine
CID 43540043
4-[1-(2,4,6-trimethylanilino)ethyl]benzene-1,3-diol
CID 60924783
4-(1-hydrazinylethyl)benzene-1,3-diol
CID 53402211
4-[1-(2,3,5,6-tetrafluoroanilino)ethyl]benzene-1,3-diol
CID 107643564
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-1H-pyrazol-4-amine
CID 43539990
4-[1-(2-hydroxyethylamino)ethyl]benzene-1,3-diol
CID 43151178
4-[1-[3-chloro-4-(dimethylamino)anilino]ethyl]benzene-1,3-diol
CID 60935121
N-[1-(3-chlorophenyl)ethyl]-1H-pyrazol-4-amine
CID 43539939
4-[1-(ethylamino)ethyl]benzene-1,3-diol
CID 24698646

Frequently Asked Questions

What is the IUPAC name of 4-[1-(1H-pyrazol-4-ylamino)ethyl]benzene-1,3-diol?
The IUPAC name of 4-[1-(1H-pyrazol-4-ylamino)ethyl]benzene-1,3-diol (CID 43540011) is 4-[1-(1H-pyrazol-4-ylamino)ethyl]benzene-1,3-diol.
What is the SMILES notation for 4-[1-(1H-pyrazol-4-ylamino)ethyl]benzene-1,3-diol?
The canonical SMILES for 4-[1-(1H-pyrazol-4-ylamino)ethyl]benzene-1,3-diol is CC(Nc1cn[nH]c1)c1ccc(O)cc1O.
What is the InChIKey of 4-[1-(1H-pyrazol-4-ylamino)ethyl]benzene-1,3-diol?
The InChIKey is ZKEBZPYBZBRDJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-7(14-8-5-12-13-6-8)10-3-2-9(15)4-11(10)16/h2-7,14-16H,1H3,(H,12,13).
What are the key properties of 4-[1-(1H-pyrazol-4-ylamino)ethyl]benzene-1,3-diol?
4-[1-(1H-pyrazol-4-ylamino)ethyl]benzene-1,3-diol has a molecular weight of 219.24 g/mol, XLogP of 1.99, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1H-pyrazol-4-ylamino)ethyl]benzene-1,3-diol is sourced from PubChem (CID 43540011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).