(1,3-diethylpyrazol-5-yl)-(oxolan-3-yl)methanol

C12H20N2O2 — CID 105097748

IUPAC(1,3-diethylpyrazol-5-yl)-(oxolan-3-yl)methanol
SMILESCCc1cc(C(O)C2CCOC2)n(CC)n1
InChIInChI=1S/C12H20N2O2/c1-3-10-7-11(14(4-2)13-10)12(15)9-5-6-16-8-9/h7,9,12,15H,3-6,8H2,1-2H3
InChIKeyHQYISQLAEKMBTN-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.54
Rot. Bonds4

About (1,3-diethylpyrazol-5-yl)-(oxolan-3-yl)methanol

(1,3-diethylpyrazol-5-yl)-(oxolan-3-yl)methanol (PubChem CID 105097748) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is (1,3-diethylpyrazol-5-yl)-(oxolan-3-yl)methanol.

Molecular Properties

Compound Name(1,3-diethylpyrazol-5-yl)-(oxolan-3-yl)methanol
PubChem CID105097748
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name(1,3-diethylpyrazol-5-yl)-(oxolan-3-yl)methanol
SMILESCCc1cc(C(O)C2CCOC2)n(CC)n1
InChIInChI=1S/C12H20N2O2/c1-3-10-7-11(14(4-2)13-10)12(15)9-5-6-16-8-9/h7,9,12,15H,3-6,8H2,1-2H3
InChIKeyHQYISQLAEKMBTN-UHFFFAOYSA-N
XLogP1.54
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1,3-diethylpyrazol-5-yl)-(oxolan-3-yl)methanol 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

(1,3-diethylpyrazol-5-yl)-(4-methylcyclohexyl)methanol
CID 105102592
(3-ethylimidazol-4-yl)-(oxolan-3-yl)methanol
CID 66132890
(1,3-diethylpyrazol-5-yl)-(3-ethylcyclohexyl)methanol
CID 105104498
(3-ethyl-1-methylpyrazol-5-yl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 105116233
cyclopropyl-(1,3-diethylpyrazol-5-yl)methanamine
CID 105157155
1-(1,3-diethylpyrazol-5-yl)-2-methylpropan-1-ol
CID 105133593
1,3-diethyl-5-propan-2-ylpyrazole
CID 118564106
N-[(2-ethyl-5-methylpyrazol-3-yl)-(oxolan-3-yl)methyl]propan-1-amine
CID 105147499
oxan-3-yl-(2-propylpyrazol-3-yl)methanol
CID 63977183
1-(1,3-diethylpyrazol-5-yl)-3-(oxolan-3-yl)-N-propylpropan-2-amine
CID 103987467
oxolan-3-yl-(1-propylpyrazol-4-yl)methanol
CID 63893224
N-[cyclopropyl-(1,3-diethylpyrazol-5-yl)methyl]propan-1-amine
CID 105157194

Frequently Asked Questions

What is the IUPAC name of (1,3-diethylpyrazol-5-yl)-(oxolan-3-yl)methanol?
The IUPAC name of (1,3-diethylpyrazol-5-yl)-(oxolan-3-yl)methanol (CID 105097748) is (1,3-diethylpyrazol-5-yl)-(oxolan-3-yl)methanol.
What is the SMILES notation for (1,3-diethylpyrazol-5-yl)-(oxolan-3-yl)methanol?
The canonical SMILES for (1,3-diethylpyrazol-5-yl)-(oxolan-3-yl)methanol is CCc1cc(C(O)C2CCOC2)n(CC)n1.
What is the InChIKey of (1,3-diethylpyrazol-5-yl)-(oxolan-3-yl)methanol?
The InChIKey is HQYISQLAEKMBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-3-10-7-11(14(4-2)13-10)12(15)9-5-6-16-8-9/h7,9,12,15H,3-6,8H2,1-2H3.
What are the key properties of (1,3-diethylpyrazol-5-yl)-(oxolan-3-yl)methanol?
(1,3-diethylpyrazol-5-yl)-(oxolan-3-yl)methanol has a molecular weight of 224.30 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-diethylpyrazol-5-yl)-(oxolan-3-yl)methanol is sourced from PubChem (CID 105097748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).