3-methoxy-2-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]propan-1-ol

C12H23N3O2 — CID 106187305

IUPAC3-methoxy-2-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]propan-1-ol
SMILESCOCC(CO)NCc1cn(C)nc1C(C)C
InChIInChI=1S/C12H23N3O2/c1-9(2)12-10(6-15(3)14-12)5-13-11(7-16)8-17-4/h6,9,11,13,16H,5,7-8H2,1-4H3
InChIKeyNAOIECBVXFTELD-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.64
Rot. Bonds7

About 3-methoxy-2-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]propan-1-ol

3-methoxy-2-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]propan-1-ol (PubChem CID 106187305) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 3-methoxy-2-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]propan-1-ol.

Molecular Properties

Compound Name3-methoxy-2-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]propan-1-ol
PubChem CID106187305
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name3-methoxy-2-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]propan-1-ol
SMILESCOCC(CO)NCc1cn(C)nc1C(C)C
InChIInChI=1S/C12H23N3O2/c1-9(2)12-10(6-15(3)14-12)5-13-11(7-16)8-17-4/h6,9,11,13,16H,5,7-8H2,1-4H3
InChIKeyNAOIECBVXFTELD-UHFFFAOYSA-N
XLogP0.64
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-1-methoxybutan-2-amine
CID 83089395
N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]octan-4-amine
CID 103781055
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-methoxypentan-2-amine
CID 112669037
3-methoxy-2-(pyrimidin-2-ylmethylamino)propan-1-ol
CID 106190329
3-methoxy-2-[(1-methylindol-3-yl)methylamino]propan-1-ol
CID 106187372
N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-3-(2-methylpropoxy)propan-1-amine
CID 43770150
2-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]butan-1-ol
CID 83086959
methyl 4-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]butanoate
CID 60782492
3-ethenoxy-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine
CID 43771284
N'-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 60888952
N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]cyclopropanamine
CID 43754680
2-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]acetamide
CID 43754758

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]propan-1-ol?
The IUPAC name of 3-methoxy-2-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]propan-1-ol (CID 106187305) is 3-methoxy-2-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]propan-1-ol.
What is the SMILES notation for 3-methoxy-2-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]propan-1-ol?
The canonical SMILES for 3-methoxy-2-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]propan-1-ol is COCC(CO)NCc1cn(C)nc1C(C)C.
What is the InChIKey of 3-methoxy-2-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]propan-1-ol?
The InChIKey is NAOIECBVXFTELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-9(2)12-10(6-15(3)14-12)5-13-11(7-16)8-17-4/h6,9,11,13,16H,5,7-8H2,1-4H3.
What are the key properties of 3-methoxy-2-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]propan-1-ol?
3-methoxy-2-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]propan-1-ol has a molecular weight of 241.33 g/mol, XLogP of 0.64, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]propan-1-ol is sourced from PubChem (CID 106187305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).