1-(methylamino)-3-[2-methyl-1-[3-(methylamino)pyrazol-1-yl]propan-2-yl]oxypropan-2-ol

C12H24N4O2 — CID 143958775

IUPAC1-(methylamino)-3-[2-methyl-1-[3-(methylamino)pyrazol-1-yl]propan-2-yl]oxypropan-2-ol
SMILESCNCC(O)COC(C)(C)Cn1ccc(NC)n1
InChIInChI=1S/C12H24N4O2/c1-12(2,18-8-10(17)7-13-3)9-16-6-5-11(14-4)15-16/h5-6,10,13,17H,7-9H2,1-4H3,(H,14,15)
InChIKeyQYAGKBPMOUWJTB-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.30
Rot. Bonds8

About 1-(methylamino)-3-[2-methyl-1-[3-(methylamino)pyrazol-1-yl]propan-2-yl]oxypropan-2-ol

1-(methylamino)-3-[2-methyl-1-[3-(methylamino)pyrazol-1-yl]propan-2-yl]oxypropan-2-ol (PubChem CID 143958775) has the molecular formula C12H24N4O2 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-(methylamino)-3-[2-methyl-1-[3-(methylamino)pyrazol-1-yl]propan-2-yl]oxypropan-2-ol.

Molecular Properties

Compound Name1-(methylamino)-3-[2-methyl-1-[3-(methylamino)pyrazol-1-yl]propan-2-yl]oxypropan-2-ol
PubChem CID143958775
Molecular FormulaC12H24N4O2
Molecular Weight256.35 g/mol
Exact Mass256.19
IUPAC Name1-(methylamino)-3-[2-methyl-1-[3-(methylamino)pyrazol-1-yl]propan-2-yl]oxypropan-2-ol
SMILESCNCC(O)COC(C)(C)Cn1ccc(NC)n1
InChIInChI=1S/C12H24N4O2/c1-12(2,18-8-10(17)7-13-3)9-16-6-5-11(14-4)15-16/h5-6,10,13,17H,7-9H2,1-4H3,(H,14,15)
InChIKeyQYAGKBPMOUWJTB-UHFFFAOYSA-N
XLogP0.30
TPSA71.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-3-[2-methyl-1-[3-(methylamino)pyrazol-1-yl]propan-2-yl]oxypropan-2-ol?
The IUPAC name of 1-(methylamino)-3-[2-methyl-1-[3-(methylamino)pyrazol-1-yl]propan-2-yl]oxypropan-2-ol (CID 143958775) is 1-(methylamino)-3-[2-methyl-1-[3-(methylamino)pyrazol-1-yl]propan-2-yl]oxypropan-2-ol.
What is the SMILES notation for 1-(methylamino)-3-[2-methyl-1-[3-(methylamino)pyrazol-1-yl]propan-2-yl]oxypropan-2-ol?
The canonical SMILES for 1-(methylamino)-3-[2-methyl-1-[3-(methylamino)pyrazol-1-yl]propan-2-yl]oxypropan-2-ol is CNCC(O)COC(C)(C)Cn1ccc(NC)n1.
What is the InChIKey of 1-(methylamino)-3-[2-methyl-1-[3-(methylamino)pyrazol-1-yl]propan-2-yl]oxypropan-2-ol?
The InChIKey is QYAGKBPMOUWJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O2/c1-12(2,18-8-10(17)7-13-3)9-16-6-5-11(14-4)15-16/h5-6,10,13,17H,7-9H2,1-4H3,(H,14,15).
What are the key properties of 1-(methylamino)-3-[2-methyl-1-[3-(methylamino)pyrazol-1-yl]propan-2-yl]oxypropan-2-ol?
1-(methylamino)-3-[2-methyl-1-[3-(methylamino)pyrazol-1-yl]propan-2-yl]oxypropan-2-ol has a molecular weight of 256.35 g/mol, XLogP of 0.30, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-3-[2-methyl-1-[3-(methylamino)pyrazol-1-yl]propan-2-yl]oxypropan-2-ol is sourced from PubChem (CID 143958775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).