1-(1-ethylpyrazol-4-yl)-4-propoxybutan-2-ol

C12H22N2O2 — CID 105082825

IUPAC1-(1-ethylpyrazol-4-yl)-4-propoxybutan-2-ol
SMILESCCCOCCC(O)Cc1cnn(CC)c1
InChIInChI=1S/C12H22N2O2/c1-3-6-16-7-5-12(15)8-11-9-13-14(4-2)10-11/h9-10,12,15H,3-8H2,1-2H3
InChIKeyKWSIHNHLVQHWBJ-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.62
Rot. Bonds8

About 1-(1-ethylpyrazol-4-yl)-4-propoxybutan-2-ol

1-(1-ethylpyrazol-4-yl)-4-propoxybutan-2-ol (PubChem CID 105082825) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-(1-ethylpyrazol-4-yl)-4-propoxybutan-2-ol.

Molecular Properties

Compound Name1-(1-ethylpyrazol-4-yl)-4-propoxybutan-2-ol
PubChem CID105082825
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name1-(1-ethylpyrazol-4-yl)-4-propoxybutan-2-ol
SMILESCCCOCCC(O)Cc1cnn(CC)c1
InChIInChI=1S/C12H22N2O2/c1-3-6-16-7-5-12(15)8-11-9-13-14(4-2)10-11/h9-10,12,15H,3-8H2,1-2H3
InChIKeyKWSIHNHLVQHWBJ-UHFFFAOYSA-N
XLogP1.62
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(1-ethylpyrazol-4-yl)-4-propoxybutan-2-ol 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-ethylpyrazol-4-yl)-4-ethylsulfanylbutan-2-ol
CID 116504737
1-(1-ethylpyrazol-4-yl)-4-(3-methylphenoxy)butan-2-ol
CID 105082863
1-(1-ethylpyrazol-4-yl)-3-(4-methoxyphenyl)propan-2-ol
CID 62126980
1-phenyl-4-propoxybutan-2-ol
CID 105076516
1-(1-ethylpyrazol-4-yl)-4-pyridin-3-ylbutan-2-ol
CID 105082891
1-(2,6-dichlorophenyl)-3-(1-ethylpyrazol-4-yl)propan-2-ol
CID 62125731
2-[(1-ethylpyrazol-4-yl)methyl]butan-1-amine
CID 62505904
6-(1-ethylpyrazol-4-yl)hexan-3-ol
CID 64514398
1-(1-ethylpyrazol-4-yl)-3,3-dimethylpentan-2-ol
CID 115780671
4-ethyl-1-(1-ethylpyrazol-4-yl)hexane-2,3-diol
CID 103459765
1-(4-propan-2-ylphenyl)-4-propoxybutan-2-ol
CID 105089027
1-(1-methylpyrazol-4-yl)-4-propoxybutan-2-amine
CID 105113884

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrazol-4-yl)-4-propoxybutan-2-ol?
The IUPAC name of 1-(1-ethylpyrazol-4-yl)-4-propoxybutan-2-ol (CID 105082825) is 1-(1-ethylpyrazol-4-yl)-4-propoxybutan-2-ol.
What is the SMILES notation for 1-(1-ethylpyrazol-4-yl)-4-propoxybutan-2-ol?
The canonical SMILES for 1-(1-ethylpyrazol-4-yl)-4-propoxybutan-2-ol is CCCOCCC(O)Cc1cnn(CC)c1.
What is the InChIKey of 1-(1-ethylpyrazol-4-yl)-4-propoxybutan-2-ol?
The InChIKey is KWSIHNHLVQHWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-3-6-16-7-5-12(15)8-11-9-13-14(4-2)10-11/h9-10,12,15H,3-8H2,1-2H3.
What are the key properties of 1-(1-ethylpyrazol-4-yl)-4-propoxybutan-2-ol?
1-(1-ethylpyrazol-4-yl)-4-propoxybutan-2-ol has a molecular weight of 226.32 g/mol, XLogP of 1.62, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrazol-4-yl)-4-propoxybutan-2-ol is sourced from PubChem (CID 105082825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).