1-(4-aminopyrazol-1-yl)-3-[methyl(2-methylbutan-2-yl)amino]propan-2-ol

C12H24N4O — CID 63982844

IUPAC1-(4-aminopyrazol-1-yl)-3-[methyl(2-methylbutan-2-yl)amino]propan-2-ol
SMILESCCC(C)(C)N(C)CC(O)Cn1cc(N)cn1
InChIInChI=1S/C12H24N4O/c1-5-12(2,3)15(4)8-11(17)9-16-7-10(13)6-14-16/h6-7,11,17H,5,8-9,13H2,1-4H3
InChIKeyOKYRHCZFAJEFKP-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.95
Rot. Bonds6

About 1-(4-aminopyrazol-1-yl)-3-[methyl(2-methylbutan-2-yl)amino]propan-2-ol

1-(4-aminopyrazol-1-yl)-3-[methyl(2-methylbutan-2-yl)amino]propan-2-ol (PubChem CID 63982844) has the molecular formula C12H24N4O and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-(4-aminopyrazol-1-yl)-3-[methyl(2-methylbutan-2-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(4-aminopyrazol-1-yl)-3-[methyl(2-methylbutan-2-yl)amino]propan-2-ol
PubChem CID63982844
Molecular FormulaC12H24N4O
Molecular Weight240.35 g/mol
Exact Mass240.20
IUPAC Name1-(4-aminopyrazol-1-yl)-3-[methyl(2-methylbutan-2-yl)amino]propan-2-ol
SMILESCCC(C)(C)N(C)CC(O)Cn1cc(N)cn1
InChIInChI=1S/C12H24N4O/c1-5-12(2,3)15(4)8-11(17)9-16-7-10(13)6-14-16/h6-7,11,17H,5,8-9,13H2,1-4H3
InChIKeyOKYRHCZFAJEFKP-UHFFFAOYSA-N
XLogP0.95
TPSA67.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopyrazol-1-yl)-3-[methyl(2-methylbutan-2-yl)amino]propan-2-ol?
The IUPAC name of 1-(4-aminopyrazol-1-yl)-3-[methyl(2-methylbutan-2-yl)amino]propan-2-ol (CID 63982844) is 1-(4-aminopyrazol-1-yl)-3-[methyl(2-methylbutan-2-yl)amino]propan-2-ol.
What is the SMILES notation for 1-(4-aminopyrazol-1-yl)-3-[methyl(2-methylbutan-2-yl)amino]propan-2-ol?
The canonical SMILES for 1-(4-aminopyrazol-1-yl)-3-[methyl(2-methylbutan-2-yl)amino]propan-2-ol is CCC(C)(C)N(C)CC(O)Cn1cc(N)cn1.
What is the InChIKey of 1-(4-aminopyrazol-1-yl)-3-[methyl(2-methylbutan-2-yl)amino]propan-2-ol?
The InChIKey is OKYRHCZFAJEFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O/c1-5-12(2,3)15(4)8-11(17)9-16-7-10(13)6-14-16/h6-7,11,17H,5,8-9,13H2,1-4H3.
What are the key properties of 1-(4-aminopyrazol-1-yl)-3-[methyl(2-methylbutan-2-yl)amino]propan-2-ol?
1-(4-aminopyrazol-1-yl)-3-[methyl(2-methylbutan-2-yl)amino]propan-2-ol has a molecular weight of 240.35 g/mol, XLogP of 0.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopyrazol-1-yl)-3-[methyl(2-methylbutan-2-yl)amino]propan-2-ol is sourced from PubChem (CID 63982844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).