1-[1-(1,3,5-trimethylpyrazol-4-yl)propylamino]butan-2-ol

C13H25N3O — CID 91660440

IUPAC1-[1-(1,3,5-trimethylpyrazol-4-yl)propylamino]butan-2-ol
SMILESCCC(O)CNC(CC)c1c(C)nn(C)c1C
InChIInChI=1S/C13H25N3O/c1-6-11(17)8-14-12(7-2)13-9(3)15-16(5)10(13)4/h11-12,14,17H,6-8H2,1-5H3
InChIKeyCXEJJYGMPCNZAE-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.85
Rot. Bonds6

About 1-[1-(1,3,5-trimethylpyrazol-4-yl)propylamino]butan-2-ol

1-[1-(1,3,5-trimethylpyrazol-4-yl)propylamino]butan-2-ol (PubChem CID 91660440) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-[1-(1,3,5-trimethylpyrazol-4-yl)propylamino]butan-2-ol.

Molecular Properties

Compound Name1-[1-(1,3,5-trimethylpyrazol-4-yl)propylamino]butan-2-ol
PubChem CID91660440
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name1-[1-(1,3,5-trimethylpyrazol-4-yl)propylamino]butan-2-ol
SMILESCCC(O)CNC(CC)c1c(C)nn(C)c1C
InChIInChI=1S/C13H25N3O/c1-6-11(17)8-14-12(7-2)13-9(3)15-16(5)10(13)4/h11-12,14,17H,6-8H2,1-5H3
InChIKeyCXEJJYGMPCNZAE-UHFFFAOYSA-N
XLogP1.85
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,3,5-trimethylpyrazol-4-yl)propylamino]butan-2-ol?
The IUPAC name of 1-[1-(1,3,5-trimethylpyrazol-4-yl)propylamino]butan-2-ol (CID 91660440) is 1-[1-(1,3,5-trimethylpyrazol-4-yl)propylamino]butan-2-ol.
What is the SMILES notation for 1-[1-(1,3,5-trimethylpyrazol-4-yl)propylamino]butan-2-ol?
The canonical SMILES for 1-[1-(1,3,5-trimethylpyrazol-4-yl)propylamino]butan-2-ol is CCC(O)CNC(CC)c1c(C)nn(C)c1C.
What is the InChIKey of 1-[1-(1,3,5-trimethylpyrazol-4-yl)propylamino]butan-2-ol?
The InChIKey is CXEJJYGMPCNZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-6-11(17)8-14-12(7-2)13-9(3)15-16(5)10(13)4/h11-12,14,17H,6-8H2,1-5H3.
What are the key properties of 1-[1-(1,3,5-trimethylpyrazol-4-yl)propylamino]butan-2-ol?
1-[1-(1,3,5-trimethylpyrazol-4-yl)propylamino]butan-2-ol has a molecular weight of 239.36 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1,3,5-trimethylpyrazol-4-yl)propylamino]butan-2-ol is sourced from PubChem (CID 91660440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).