3-(propylamino)-4-(3,4,5-trimethylpyrazol-1-yl)butan-1-ol

C13H25N3O — CID 64897769

IUPAC3-(propylamino)-4-(3,4,5-trimethylpyrazol-1-yl)butan-1-ol
SMILESCCCNC(CCO)Cn1nc(C)c(C)c1C
InChIInChI=1S/C13H25N3O/c1-5-7-14-13(6-8-17)9-16-12(4)10(2)11(3)15-16/h13-14,17H,5-9H2,1-4H3
InChIKeyOLCTZBXRULSYGA-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.56
Rot. Bonds7

About 3-(propylamino)-4-(3,4,5-trimethylpyrazol-1-yl)butan-1-ol

3-(propylamino)-4-(3,4,5-trimethylpyrazol-1-yl)butan-1-ol (PubChem CID 64897769) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 3-(propylamino)-4-(3,4,5-trimethylpyrazol-1-yl)butan-1-ol.

Molecular Properties

Compound Name3-(propylamino)-4-(3,4,5-trimethylpyrazol-1-yl)butan-1-ol
PubChem CID64897769
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name3-(propylamino)-4-(3,4,5-trimethylpyrazol-1-yl)butan-1-ol
SMILESCCCNC(CCO)Cn1nc(C)c(C)c1C
InChIInChI=1S/C13H25N3O/c1-5-7-14-13(6-8-17)9-16-12(4)10(2)11(3)15-16/h13-14,17H,5-9H2,1-4H3
InChIKeyOLCTZBXRULSYGA-UHFFFAOYSA-N
XLogP1.56
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 ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(propylamino)-4-(3,4,5-trimethylpyrazol-1-yl)butan-1-ol?
The IUPAC name of 3-(propylamino)-4-(3,4,5-trimethylpyrazol-1-yl)butan-1-ol (CID 64897769) is 3-(propylamino)-4-(3,4,5-trimethylpyrazol-1-yl)butan-1-ol.
What is the SMILES notation for 3-(propylamino)-4-(3,4,5-trimethylpyrazol-1-yl)butan-1-ol?
The canonical SMILES for 3-(propylamino)-4-(3,4,5-trimethylpyrazol-1-yl)butan-1-ol is CCCNC(CCO)Cn1nc(C)c(C)c1C.
What is the InChIKey of 3-(propylamino)-4-(3,4,5-trimethylpyrazol-1-yl)butan-1-ol?
The InChIKey is OLCTZBXRULSYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-5-7-14-13(6-8-17)9-16-12(4)10(2)11(3)15-16/h13-14,17H,5-9H2,1-4H3.
What are the key properties of 3-(propylamino)-4-(3,4,5-trimethylpyrazol-1-yl)butan-1-ol?
3-(propylamino)-4-(3,4,5-trimethylpyrazol-1-yl)butan-1-ol has a molecular weight of 239.36 g/mol, XLogP of 1.56, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propylamino)-4-(3,4,5-trimethylpyrazol-1-yl)butan-1-ol is sourced from PubChem (CID 64897769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).