2-methyl-3-[[(2-propylpyrazol-3-yl)methylamino]methyl]oxolan-3-ol

C13H23N3O2 — CID 106100232

IUPAC2-methyl-3-[[(2-propylpyrazol-3-yl)methylamino]methyl]oxolan-3-ol
SMILESCCCn1nccc1CNCC1(O)CCOC1C
InChIInChI=1S/C13H23N3O2/c1-3-7-16-12(4-6-15-16)9-14-10-13(17)5-8-18-11(13)2/h4,6,11,14,17H,3,5,7-10H2,1-2H3
InChIKeyUOBLQTFKYXNKLH-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.92
Rot. Bonds6

About 2-methyl-3-[[(2-propylpyrazol-3-yl)methylamino]methyl]oxolan-3-ol

2-methyl-3-[[(2-propylpyrazol-3-yl)methylamino]methyl]oxolan-3-ol (PubChem CID 106100232) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-methyl-3-[[(2-propylpyrazol-3-yl)methylamino]methyl]oxolan-3-ol.

Molecular Properties

Compound Name2-methyl-3-[[(2-propylpyrazol-3-yl)methylamino]methyl]oxolan-3-ol
PubChem CID106100232
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name2-methyl-3-[[(2-propylpyrazol-3-yl)methylamino]methyl]oxolan-3-ol
SMILESCCCn1nccc1CNCC1(O)CCOC1C
InChIInChI=1S/C13H23N3O2/c1-3-7-16-12(4-6-15-16)9-14-10-13(17)5-8-18-11(13)2/h4,6,11,14,17H,3,5,7-10H2,1-2H3
InChIKeyUOBLQTFKYXNKLH-UHFFFAOYSA-N
XLogP0.92
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-methyl-3-[[(2-propylpyrazol-3-yl)methylamino]methyl]oxolan-3-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-methyl-3-[[(2-methylpyrazol-3-yl)methylamino]methyl]oxolan-3-ol
CID 107268404
3-methyl-1-[[(2-propylpyrazol-3-yl)methylamino]methyl]cyclohexan-1-ol
CID 114555849
2-methyl-3-[[(1-methylpyrrol-2-yl)methylamino]methyl]oxolan-3-ol
CID 107268488
4-ethyl-1-[[(2-propylpyrazol-3-yl)methylamino]methyl]cyclohexan-1-ol
CID 114555851
2-methyl-3-[[(1-methylpyrazol-3-yl)methylamino]methyl]oxolan-3-ol
CID 107268345
N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(2-propylpyrazol-3-yl)methanamine
CID 107163325
(2S,3R)-3-[(benzylamino)methyl]-2-methyloxolan-3-ol
CID 98041266
3-[[(3-chloro-4-pyridinyl)methylamino]methyl]-2-methyloxolan-3-ol
CID 114143498
3-[[(5-ethylthiophen-2-yl)methylamino]methyl]-2-methyloxolan-3-ol
CID 107268149
2-methyl-3-[[(3-propan-2-ylimidazol-4-yl)methylamino]methyl]oxolan-3-ol
CID 106100251
N-[[2-(2-fluoroethyl)pyrazol-3-yl]methyl]-1-(2-propylpyrazol-3-yl)methanamine
CID 122166952
1-(2-ethylpyrazol-3-yl)-N-[(2-propylpyrazol-3-yl)methyl]methanamine
CID 19625523

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[[(2-propylpyrazol-3-yl)methylamino]methyl]oxolan-3-ol?
The IUPAC name of 2-methyl-3-[[(2-propylpyrazol-3-yl)methylamino]methyl]oxolan-3-ol (CID 106100232) is 2-methyl-3-[[(2-propylpyrazol-3-yl)methylamino]methyl]oxolan-3-ol.
What is the SMILES notation for 2-methyl-3-[[(2-propylpyrazol-3-yl)methylamino]methyl]oxolan-3-ol?
The canonical SMILES for 2-methyl-3-[[(2-propylpyrazol-3-yl)methylamino]methyl]oxolan-3-ol is CCCn1nccc1CNCC1(O)CCOC1C.
What is the InChIKey of 2-methyl-3-[[(2-propylpyrazol-3-yl)methylamino]methyl]oxolan-3-ol?
The InChIKey is UOBLQTFKYXNKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-3-7-16-12(4-6-15-16)9-14-10-13(17)5-8-18-11(13)2/h4,6,11,14,17H,3,5,7-10H2,1-2H3.
What are the key properties of 2-methyl-3-[[(2-propylpyrazol-3-yl)methylamino]methyl]oxolan-3-ol?
2-methyl-3-[[(2-propylpyrazol-3-yl)methylamino]methyl]oxolan-3-ol has a molecular weight of 253.35 g/mol, XLogP of 0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[[(2-propylpyrazol-3-yl)methylamino]methyl]oxolan-3-ol is sourced from PubChem (CID 106100232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).