3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-(propylamino)propan-1-ol

C13H25N3O — CID 64815326

IUPAC3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-(propylamino)propan-1-ol
SMILESCCCNC(CCO)c1c(C)nn(CC)c1C
InChIInChI=1S/C13H25N3O/c1-5-8-14-12(7-9-17)13-10(3)15-16(6-2)11(13)4/h12,14,17H,5-9H2,1-4H3
InChIKeyCUPKGWHQZFXTHL-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.94
Rot. Bonds7

About 3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-(propylamino)propan-1-ol

3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-(propylamino)propan-1-ol (PubChem CID 64815326) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-(propylamino)propan-1-ol.

Molecular Properties

Compound Name3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-(propylamino)propan-1-ol
PubChem CID64815326
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-(propylamino)propan-1-ol
SMILESCCCNC(CCO)c1c(C)nn(CC)c1C
InChIInChI=1S/C13H25N3O/c1-5-8-14-12(7-9-17)13-10(3)15-16(6-2)11(13)4/h12,14,17H,5-9H2,1-4H3
InChIKeyCUPKGWHQZFXTHL-UHFFFAOYSA-N
XLogP1.94
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-(propylamino)propan-1-ol?
The IUPAC name of 3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-(propylamino)propan-1-ol (CID 64815326) is 3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-(propylamino)propan-1-ol.
What is the SMILES notation for 3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-(propylamino)propan-1-ol?
The canonical SMILES for 3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-(propylamino)propan-1-ol is CCCNC(CCO)c1c(C)nn(CC)c1C.
What is the InChIKey of 3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-(propylamino)propan-1-ol?
The InChIKey is CUPKGWHQZFXTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-5-8-14-12(7-9-17)13-10(3)15-16(6-2)11(13)4/h12,14,17H,5-9H2,1-4H3.
What are the key properties of 3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-(propylamino)propan-1-ol?
3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-(propylamino)propan-1-ol has a molecular weight of 239.36 g/mol, XLogP of 1.94, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-(propylamino)propan-1-ol is sourced from PubChem (CID 64815326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).