4-[1-[2-(1-methylpyrazol-3-yl)ethylamino]ethyl]benzene-1,3-diol

C14H19N3O2 — CID 106104315

IUPAC4-[1-[2-(1-methylpyrazol-3-yl)ethylamino]ethyl]benzene-1,3-diol
SMILESCC(NCCc1ccn(C)n1)c1ccc(O)cc1O
InChIInChI=1S/C14H19N3O2/c1-10(13-4-3-12(18)9-14(13)19)15-7-5-11-6-8-17(2)16-11/h3-4,6,8-10,15,18-19H,5,7H2,1-2H3
InChIKeyICDJWTMDNIJBII-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.72
Rot. Bonds5

About 4-[1-[2-(1-methylpyrazol-3-yl)ethylamino]ethyl]benzene-1,3-diol

4-[1-[2-(1-methylpyrazol-3-yl)ethylamino]ethyl]benzene-1,3-diol (PubChem CID 106104315) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 4-[1-[2-(1-methylpyrazol-3-yl)ethylamino]ethyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[1-[2-(1-methylpyrazol-3-yl)ethylamino]ethyl]benzene-1,3-diol
PubChem CID106104315
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name4-[1-[2-(1-methylpyrazol-3-yl)ethylamino]ethyl]benzene-1,3-diol
SMILESCC(NCCc1ccn(C)n1)c1ccc(O)cc1O
InChIInChI=1S/C14H19N3O2/c1-10(13-4-3-12(18)9-14(13)19)15-7-5-11-6-8-17(2)16-11/h3-4,6,8-10,15,18-19H,5,7H2,1-2H3
InChIKeyICDJWTMDNIJBII-UHFFFAOYSA-N
XLogP1.72
TPSA70.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[1-(2-hydroxyethylamino)ethyl]benzene-1,3-diol
CID 43151178
1-(2-bromophenyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine
CID 113434466
1-(1-methylcyclopropyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine
CID 104629143
4-[1-(ethylamino)ethyl]benzene-1,3-diol
CID 24698646
4-[2-(1-methylpyrazol-3-yl)ethylamino]pentanoic acid
CID 106104330
4-[1-[2-(3-methylphenyl)ethylamino]ethyl]benzene-1,3-diol
CID 62314440
4-[1-(5-hydroxypentylamino)ethyl]benzene-1,3-diol
CID 107316713
4-[1-(4,4,4-trifluorobutylamino)ethyl]benzene-1,3-diol
CID 115516399
1-(furan-2-yl)-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine
CID 104629058
4-[1-(2-thiomorpholin-4-ylethylamino)ethyl]benzene-1,3-diol
CID 106324919
1-(3-chlorophenyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine
CID 104626269
N-[2-(1-methylpyrazol-3-yl)ethyl]-4-phenylbutan-2-amine
CID 104626268

Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-(1-methylpyrazol-3-yl)ethylamino]ethyl]benzene-1,3-diol?
The IUPAC name of 4-[1-[2-(1-methylpyrazol-3-yl)ethylamino]ethyl]benzene-1,3-diol (CID 106104315) is 4-[1-[2-(1-methylpyrazol-3-yl)ethylamino]ethyl]benzene-1,3-diol.
What is the SMILES notation for 4-[1-[2-(1-methylpyrazol-3-yl)ethylamino]ethyl]benzene-1,3-diol?
The canonical SMILES for 4-[1-[2-(1-methylpyrazol-3-yl)ethylamino]ethyl]benzene-1,3-diol is CC(NCCc1ccn(C)n1)c1ccc(O)cc1O.
What is the InChIKey of 4-[1-[2-(1-methylpyrazol-3-yl)ethylamino]ethyl]benzene-1,3-diol?
The InChIKey is ICDJWTMDNIJBII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-10(13-4-3-12(18)9-14(13)19)15-7-5-11-6-8-17(2)16-11/h3-4,6,8-10,15,18-19H,5,7H2,1-2H3.
What are the key properties of 4-[1-[2-(1-methylpyrazol-3-yl)ethylamino]ethyl]benzene-1,3-diol?
4-[1-[2-(1-methylpyrazol-3-yl)ethylamino]ethyl]benzene-1,3-diol has a molecular weight of 261.32 g/mol, XLogP of 1.72, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-(1-methylpyrazol-3-yl)ethylamino]ethyl]benzene-1,3-diol is sourced from PubChem (CID 106104315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).