1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(2-ethyl-5-methylpyrrolidin-1-yl)propan-2-ol

C15H28N4O — CID 83228217

IUPAC1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(2-ethyl-5-methylpyrrolidin-1-yl)propan-2-ol
SMILESCCC1CCC(C)N1CC(O)Cn1nc(C)c(N)c1C
InChIInChI=1S/C15H28N4O/c1-5-13-7-6-10(2)18(13)8-14(20)9-19-12(4)15(16)11(3)17-19/h10,13-14,20H,5-9,16H2,1-4H3
InChIKeyQKGGSOWVVXTFTK-UHFFFAOYSA-N
MW280.42 g/mol
LogP1.71
Rot. Bonds5

About 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(2-ethyl-5-methylpyrrolidin-1-yl)propan-2-ol

1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(2-ethyl-5-methylpyrrolidin-1-yl)propan-2-ol (PubChem CID 83228217) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(2-ethyl-5-methylpyrrolidin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(2-ethyl-5-methylpyrrolidin-1-yl)propan-2-ol
PubChem CID83228217
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(2-ethyl-5-methylpyrrolidin-1-yl)propan-2-ol
SMILESCCC1CCC(C)N1CC(O)Cn1nc(C)c(N)c1C
InChIInChI=1S/C15H28N4O/c1-5-13-7-6-10(2)18(13)8-14(20)9-19-12(4)15(16)11(3)17-19/h10,13-14,20H,5-9,16H2,1-4H3
InChIKeyQKGGSOWVVXTFTK-UHFFFAOYSA-N
XLogP1.71
TPSA67.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(2-ethyl-5-methylpyrrolidin-1-yl)propan-2-ol?
The IUPAC name of 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(2-ethyl-5-methylpyrrolidin-1-yl)propan-2-ol (CID 83228217) is 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(2-ethyl-5-methylpyrrolidin-1-yl)propan-2-ol.
What is the SMILES notation for 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(2-ethyl-5-methylpyrrolidin-1-yl)propan-2-ol?
The canonical SMILES for 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(2-ethyl-5-methylpyrrolidin-1-yl)propan-2-ol is CCC1CCC(C)N1CC(O)Cn1nc(C)c(N)c1C.
What is the InChIKey of 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(2-ethyl-5-methylpyrrolidin-1-yl)propan-2-ol?
The InChIKey is QKGGSOWVVXTFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-5-13-7-6-10(2)18(13)8-14(20)9-19-12(4)15(16)11(3)17-19/h10,13-14,20H,5-9,16H2,1-4H3.
What are the key properties of 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(2-ethyl-5-methylpyrrolidin-1-yl)propan-2-ol?
1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(2-ethyl-5-methylpyrrolidin-1-yl)propan-2-ol has a molecular weight of 280.42 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(2-ethyl-5-methylpyrrolidin-1-yl)propan-2-ol is sourced from PubChem (CID 83228217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).