3-ethoxy-1-(1-methylpyrazol-4-yl)butan-2-ol

C10H18N2O2 — CID 64541540

IUPAC3-ethoxy-1-(1-methylpyrazol-4-yl)butan-2-ol
SMILESCCOC(C)C(O)Cc1cnn(C)c1
InChIInChI=1S/C10H18N2O2/c1-4-14-8(2)10(13)5-9-6-11-12(3)7-9/h6-8,10,13H,4-5H2,1-3H3
InChIKeyPACFWSNGCCPUMF-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.75
Rot. Bonds5

About 3-ethoxy-1-(1-methylpyrazol-4-yl)butan-2-ol

3-ethoxy-1-(1-methylpyrazol-4-yl)butan-2-ol (PubChem CID 64541540) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 3-ethoxy-1-(1-methylpyrazol-4-yl)butan-2-ol.

Molecular Properties

Compound Name3-ethoxy-1-(1-methylpyrazol-4-yl)butan-2-ol
PubChem CID64541540
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name3-ethoxy-1-(1-methylpyrazol-4-yl)butan-2-ol
SMILESCCOC(C)C(O)Cc1cnn(C)c1
InChIInChI=1S/C10H18N2O2/c1-4-14-8(2)10(13)5-9-6-11-12(3)7-9/h6-8,10,13H,4-5H2,1-3H3
InChIKeyPACFWSNGCCPUMF-UHFFFAOYSA-N
XLogP0.75
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-ethoxy-1-(1-methylpyrazol-4-yl)butan-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

4-ethoxy-1-(1-methylpyrazol-4-yl)pentan-3-ol
CID 103008145
1-cyclopropyl-1-ethoxy-3-(1-methylpyrazol-4-yl)propan-2-ol
CID 116712818
3-ethyl-1-(1-methylpyrazol-4-yl)heptan-2-ol
CID 115780380
1-cyclopropyl-1-ethoxy-4-(1-methylpyrazol-4-yl)butan-2-ol
CID 103008567
5-ethoxy-1-(1-methylpyrazol-4-yl)pentan-2-ol
CID 105082767
4,4,4-trifluoro-1-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)butan-2-ol
CID 103312451
[3-ethoxy-1-(1-methylpyrazol-4-yl)hexan-2-yl]hydrazine
CID 105271422
1-methoxy-3-(1-methylpyrazol-4-yl)propan-2-ol
CID 62127498
1-(1-methylpyrazol-4-yl)-3-phenylpentan-2-ol
CID 115780396
3-methyl-5-(1-methylpyrazol-4-yl)pentan-2-one
CID 103004218
1,1-diethoxy-3-(1-methylpyrazol-4-yl)-N-propylpropan-2-amine
CID 79495508
ethyl 2-chloro-3-(1-methylpyrazol-4-yl)propanoate
CID 83197701

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-(1-methylpyrazol-4-yl)butan-2-ol?
The IUPAC name of 3-ethoxy-1-(1-methylpyrazol-4-yl)butan-2-ol (CID 64541540) is 3-ethoxy-1-(1-methylpyrazol-4-yl)butan-2-ol.
What is the SMILES notation for 3-ethoxy-1-(1-methylpyrazol-4-yl)butan-2-ol?
The canonical SMILES for 3-ethoxy-1-(1-methylpyrazol-4-yl)butan-2-ol is CCOC(C)C(O)Cc1cnn(C)c1.
What is the InChIKey of 3-ethoxy-1-(1-methylpyrazol-4-yl)butan-2-ol?
The InChIKey is PACFWSNGCCPUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-4-14-8(2)10(13)5-9-6-11-12(3)7-9/h6-8,10,13H,4-5H2,1-3H3.
What are the key properties of 3-ethoxy-1-(1-methylpyrazol-4-yl)butan-2-ol?
3-ethoxy-1-(1-methylpyrazol-4-yl)butan-2-ol has a molecular weight of 198.27 g/mol, XLogP of 0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-(1-methylpyrazol-4-yl)butan-2-ol is sourced from PubChem (CID 64541540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).