2-methyl-2-(propylamino)-3-(3,4,5-trimethylpyrazol-1-yl)propan-1-ol

C13H25N3O — CID 64809877

IUPAC2-methyl-2-(propylamino)-3-(3,4,5-trimethylpyrazol-1-yl)propan-1-ol
SMILESCCCNC(C)(CO)Cn1nc(C)c(C)c1C
InChIInChI=1S/C13H25N3O/c1-6-7-14-13(5,9-17)8-16-12(4)10(2)11(3)15-16/h14,17H,6-9H2,1-5H3
InChIKeyWTTJWQQKBJOGQL-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.56
Rot. Bonds6

About 2-methyl-2-(propylamino)-3-(3,4,5-trimethylpyrazol-1-yl)propan-1-ol

2-methyl-2-(propylamino)-3-(3,4,5-trimethylpyrazol-1-yl)propan-1-ol (PubChem CID 64809877) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-methyl-2-(propylamino)-3-(3,4,5-trimethylpyrazol-1-yl)propan-1-ol.

Molecular Properties

Compound Name2-methyl-2-(propylamino)-3-(3,4,5-trimethylpyrazol-1-yl)propan-1-ol
PubChem CID64809877
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name2-methyl-2-(propylamino)-3-(3,4,5-trimethylpyrazol-1-yl)propan-1-ol
SMILESCCCNC(C)(CO)Cn1nc(C)c(C)c1C
InChIInChI=1S/C13H25N3O/c1-6-7-14-13(5,9-17)8-16-12(4)10(2)11(3)15-16/h14,17H,6-9H2,1-5H3
InChIKeyWTTJWQQKBJOGQL-UHFFFAOYSA-N
XLogP1.56
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 ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(propylamino)-3-(3,4,5-trimethylpyrazol-1-yl)propan-1-ol?
The IUPAC name of 2-methyl-2-(propylamino)-3-(3,4,5-trimethylpyrazol-1-yl)propan-1-ol (CID 64809877) is 2-methyl-2-(propylamino)-3-(3,4,5-trimethylpyrazol-1-yl)propan-1-ol.
What is the SMILES notation for 2-methyl-2-(propylamino)-3-(3,4,5-trimethylpyrazol-1-yl)propan-1-ol?
The canonical SMILES for 2-methyl-2-(propylamino)-3-(3,4,5-trimethylpyrazol-1-yl)propan-1-ol is CCCNC(C)(CO)Cn1nc(C)c(C)c1C.
What is the InChIKey of 2-methyl-2-(propylamino)-3-(3,4,5-trimethylpyrazol-1-yl)propan-1-ol?
The InChIKey is WTTJWQQKBJOGQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-6-7-14-13(5,9-17)8-16-12(4)10(2)11(3)15-16/h14,17H,6-9H2,1-5H3.
What are the key properties of 2-methyl-2-(propylamino)-3-(3,4,5-trimethylpyrazol-1-yl)propan-1-ol?
2-methyl-2-(propylamino)-3-(3,4,5-trimethylpyrazol-1-yl)propan-1-ol has a molecular weight of 239.36 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(propylamino)-3-(3,4,5-trimethylpyrazol-1-yl)propan-1-ol is sourced from PubChem (CID 64809877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).