1-(2,3-dihydrofuran-5-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol

C13H20N2O2 — CID 102653938

IUPAC1-(2,3-dihydrofuran-5-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol
SMILESCc1nn(C)c(C)c1CCC(O)C1=CCCO1
InChIInChI=1S/C13H20N2O2/c1-9-11(10(2)15(3)14-9)6-7-12(16)13-5-4-8-17-13/h5,12,16H,4,6-8H2,1-3H3
InChIKeyOBANXRFNBFWHNO-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.63
Rot. Bonds4

About 1-(2,3-dihydrofuran-5-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol

1-(2,3-dihydrofuran-5-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol (PubChem CID 102653938) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-(2,3-dihydrofuran-5-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol.

Molecular Properties

Compound Name1-(2,3-dihydrofuran-5-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol
PubChem CID102653938
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1-(2,3-dihydrofuran-5-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol
SMILESCc1nn(C)c(C)c1CCC(O)C1=CCCO1
InChIInChI=1S/C13H20N2O2/c1-9-11(10(2)15(3)14-9)6-7-12(16)13-5-4-8-17-13/h5,12,16H,4,6-8H2,1-3H3
InChIKeyOBANXRFNBFWHNO-UHFFFAOYSA-N
XLogP1.63
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2,3-dihydrofuran-5-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-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-(2,3-dihydrofuran-5-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propyl]hydrazine
CID 102654606
1-(2,3-dihydrofuran-5-yl)-N-ethyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 102653559
1-(2,3-dihydrofuran-5-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 102652873
1-(1,3,5-trimethylpyrazol-4-yl)heptane-3,4-diol
CID 83930169
3,4-dihydro-2H-pyran-6-yl-(1,3,5-trimethylpyrazol-4-yl)methanol
CID 102649824
2-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pent-1-en-3-ol
CID 105110499
1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 102648848
1-(3-chloro-4-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol
CID 107562206
1-(5-fluoro-3-pyridinyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol
CID 105080417
1-(1-propylimidazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol
CID 105098459
1-(4-bromophenyl)-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-ol
CID 105077459
1-(5-methoxy-3-pyridinyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol
CID 105121224

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydrofuran-5-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol?
The IUPAC name of 1-(2,3-dihydrofuran-5-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol (CID 102653938) is 1-(2,3-dihydrofuran-5-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol.
What is the SMILES notation for 1-(2,3-dihydrofuran-5-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol?
The canonical SMILES for 1-(2,3-dihydrofuran-5-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol is Cc1nn(C)c(C)c1CCC(O)C1=CCCO1.
What is the InChIKey of 1-(2,3-dihydrofuran-5-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol?
The InChIKey is OBANXRFNBFWHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-9-11(10(2)15(3)14-9)6-7-12(16)13-5-4-8-17-13/h5,12,16H,4,6-8H2,1-3H3.
What are the key properties of 1-(2,3-dihydrofuran-5-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol?
1-(2,3-dihydrofuran-5-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol has a molecular weight of 236.31 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydrofuran-5-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol is sourced from PubChem (CID 102653938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).