2-methoxy-3,3-dimethyl-1-(2-propylpyrazol-3-yl)butan-1-ol

C13H24N2O2 — CID 116713015

IUPAC2-methoxy-3,3-dimethyl-1-(2-propylpyrazol-3-yl)butan-1-ol
SMILESCCCn1nccc1C(O)C(OC)C(C)(C)C
InChIInChI=1S/C13H24N2O2/c1-6-9-15-10(7-8-14-15)11(16)12(17-5)13(2,3)4/h7-8,11-12,16H,6,9H2,1-5H3
InChIKeyHEFYPMXDUTWIJN-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.39
Rot. Bonds5

About 2-methoxy-3,3-dimethyl-1-(2-propylpyrazol-3-yl)butan-1-ol

2-methoxy-3,3-dimethyl-1-(2-propylpyrazol-3-yl)butan-1-ol (PubChem CID 116713015) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-methoxy-3,3-dimethyl-1-(2-propylpyrazol-3-yl)butan-1-ol.

Molecular Properties

Compound Name2-methoxy-3,3-dimethyl-1-(2-propylpyrazol-3-yl)butan-1-ol
PubChem CID116713015
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name2-methoxy-3,3-dimethyl-1-(2-propylpyrazol-3-yl)butan-1-ol
SMILESCCCn1nccc1C(O)C(OC)C(C)(C)C
InChIInChI=1S/C13H24N2O2/c1-6-9-15-10(7-8-14-15)11(16)12(17-5)13(2,3)4/h7-8,11-12,16H,6,9H2,1-5H3
InChIKeyHEFYPMXDUTWIJN-UHFFFAOYSA-N
XLogP2.39
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methoxy-3,3-dimethyl-1-(2-propylpyrazol-3-yl)butan-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

2-ethoxy-1-(2-propylpyrazol-3-yl)butan-1-ol
CID 116710992
2,2-dimethyl-1-(2-propylpyrazol-3-yl)propan-1-amine
CID 63975935
2-amino-1-(2-propylpyrazol-3-yl)propane-1,3-diol
CID 114558108
2,2,2-trifluoro-1-(2-propylpyrazol-3-yl)ethanol
CID 63977421
2-ethoxy-2-methyl-1-(2-propylpyrazol-3-yl)butan-1-ol
CID 116752129
2,2-dimethyl-N-propyl-1-(2-propylpyrazol-3-yl)propan-1-amine
CID 63974473
(3-methoxy-4-pyridinyl)-(2-propylpyrazol-3-yl)methanol
CID 105066291
2-methoxy-1-(2-propylpyrazol-3-yl)ethanamine
CID 63974690
N-ethyl-2-methoxy-3-methyl-1-(2-propylpyrazol-3-yl)butan-1-amine
CID 116720430
[3-methoxy-3-methyl-1-(2-propylpyrazol-3-yl)butyl]hydrazine
CID 103025317
(3-methoxythiophen-2-yl)-(2-propylpyrazol-3-yl)methanol
CID 115798642
3-(dimethylamino)-1-(2-propylpyrazol-3-yl)propan-1-ol
CID 115345864

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3,3-dimethyl-1-(2-propylpyrazol-3-yl)butan-1-ol?
The IUPAC name of 2-methoxy-3,3-dimethyl-1-(2-propylpyrazol-3-yl)butan-1-ol (CID 116713015) is 2-methoxy-3,3-dimethyl-1-(2-propylpyrazol-3-yl)butan-1-ol.
What is the SMILES notation for 2-methoxy-3,3-dimethyl-1-(2-propylpyrazol-3-yl)butan-1-ol?
The canonical SMILES for 2-methoxy-3,3-dimethyl-1-(2-propylpyrazol-3-yl)butan-1-ol is CCCn1nccc1C(O)C(OC)C(C)(C)C.
What is the InChIKey of 2-methoxy-3,3-dimethyl-1-(2-propylpyrazol-3-yl)butan-1-ol?
The InChIKey is HEFYPMXDUTWIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-6-9-15-10(7-8-14-15)11(16)12(17-5)13(2,3)4/h7-8,11-12,16H,6,9H2,1-5H3.
What are the key properties of 2-methoxy-3,3-dimethyl-1-(2-propylpyrazol-3-yl)butan-1-ol?
2-methoxy-3,3-dimethyl-1-(2-propylpyrazol-3-yl)butan-1-ol has a molecular weight of 240.35 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3,3-dimethyl-1-(2-propylpyrazol-3-yl)butan-1-ol is sourced from PubChem (CID 116713015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).