1-(4-methoxy-1-methylpyrazol-5-yl)-2-(propylamino)ethanol

C10H19N3O2 — CID 114665828

IUPAC1-(4-methoxy-1-methylpyrazol-5-yl)-2-(propylamino)ethanol
SMILESCCCNCC(O)c1c(OC)cnn1C
InChIInChI=1S/C10H19N3O2/c1-4-5-11-6-8(14)10-9(15-3)7-12-13(10)2/h7-8,11,14H,4-6H2,1-3H3
InChIKeyVGVKWIBXNNPULO-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.46
Rot. Bonds6

About 1-(4-methoxy-1-methylpyrazol-5-yl)-2-(propylamino)ethanol

1-(4-methoxy-1-methylpyrazol-5-yl)-2-(propylamino)ethanol (PubChem CID 114665828) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is 1-(4-methoxy-1-methylpyrazol-5-yl)-2-(propylamino)ethanol.

Molecular Properties

Compound Name1-(4-methoxy-1-methylpyrazol-5-yl)-2-(propylamino)ethanol
PubChem CID114665828
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name1-(4-methoxy-1-methylpyrazol-5-yl)-2-(propylamino)ethanol
SMILESCCCNCC(O)c1c(OC)cnn1C
InChIInChI=1S/C10H19N3O2/c1-4-5-11-6-8(14)10-9(15-3)7-12-13(10)2/h7-8,11,14H,4-6H2,1-3H3
InChIKeyVGVKWIBXNNPULO-UHFFFAOYSA-N
XLogP0.46
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(4-methoxy-1-methylpyrazol-5-yl)-2-(propylamino)ethanol 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-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-(propylamino)ethanol
CID 114665822
2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)ethanol
CID 114643178
3-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)propan-1-ol
CID 114643133
3-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-3-methylbutan-1-ol
CID 103027713
1-(4-methoxy-1-methylpyrazol-5-yl)-2-methyl-N-propylbutan-1-amine
CID 114651756
N-[2,2-dimethoxy-1-(4-methoxy-1-methylpyrazol-5-yl)ethyl]propan-1-amine
CID 114657568
ethyl 2-hydroxy-2-(4-methoxy-1-methylpyrazol-5-yl)acetate
CID 114636536
1-(4-methoxy-1-methylpyrazol-5-yl)-N,2-dipropylpentan-1-amine
CID 105046984
2,2-difluoro-1-(4-methoxy-1-methylpyrazol-5-yl)ethanol
CID 114645393
2-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)-2-N,2-N-dimethyl-1-N-propylbutane-1,2-diamine
CID 114656917
1-(4-methoxy-1-methylpyrazol-5-yl)-N',N'-dimethyl-N-propylethane-1,2-diamine
CID 114657283
2-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)butane-1,2-diol
CID 103449219

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-1-methylpyrazol-5-yl)-2-(propylamino)ethanol?
The IUPAC name of 1-(4-methoxy-1-methylpyrazol-5-yl)-2-(propylamino)ethanol (CID 114665828) is 1-(4-methoxy-1-methylpyrazol-5-yl)-2-(propylamino)ethanol.
What is the SMILES notation for 1-(4-methoxy-1-methylpyrazol-5-yl)-2-(propylamino)ethanol?
The canonical SMILES for 1-(4-methoxy-1-methylpyrazol-5-yl)-2-(propylamino)ethanol is CCCNCC(O)c1c(OC)cnn1C.
What is the InChIKey of 1-(4-methoxy-1-methylpyrazol-5-yl)-2-(propylamino)ethanol?
The InChIKey is VGVKWIBXNNPULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-4-5-11-6-8(14)10-9(15-3)7-12-13(10)2/h7-8,11,14H,4-6H2,1-3H3.
What are the key properties of 1-(4-methoxy-1-methylpyrazol-5-yl)-2-(propylamino)ethanol?
1-(4-methoxy-1-methylpyrazol-5-yl)-2-(propylamino)ethanol has a molecular weight of 213.28 g/mol, XLogP of 0.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-1-methylpyrazol-5-yl)-2-(propylamino)ethanol is sourced from PubChem (CID 114665828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).