1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[methyl(2-methylbutyl)amino]propan-2-ol

C14H28N4O — CID 63945448

IUPAC1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[methyl(2-methylbutyl)amino]propan-2-ol
SMILESCCC(C)CN(C)CC(O)Cn1nc(C)c(N)c1C
InChIInChI=1S/C14H28N4O/c1-6-10(2)7-17(5)8-13(19)9-18-12(4)14(15)11(3)16-18/h10,13,19H,6-9,15H2,1-5H3
InChIKeyYWLADNVBBWBKOH-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.42
Rot. Bonds7

About 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[methyl(2-methylbutyl)amino]propan-2-ol

1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[methyl(2-methylbutyl)amino]propan-2-ol (PubChem CID 63945448) has the molecular formula C14H28N4O and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[methyl(2-methylbutyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[methyl(2-methylbutyl)amino]propan-2-ol
PubChem CID63945448
Molecular FormulaC14H28N4O
Molecular Weight268.40 g/mol
Exact Mass268.23
IUPAC Name1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[methyl(2-methylbutyl)amino]propan-2-ol
SMILESCCC(C)CN(C)CC(O)Cn1nc(C)c(N)c1C
InChIInChI=1S/C14H28N4O/c1-6-10(2)7-17(5)8-13(19)9-18-12(4)14(15)11(3)16-18/h10,13,19H,6-9,15H2,1-5H3
InChIKeyYWLADNVBBWBKOH-UHFFFAOYSA-N
XLogP1.42
TPSA67.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.42
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-[methyl(2-methylbutyl)amino]propan-2-ol?
The IUPAC name of 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[methyl(2-methylbutyl)amino]propan-2-ol (CID 63945448) is 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[methyl(2-methylbutyl)amino]propan-2-ol.
What is the SMILES notation for 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[methyl(2-methylbutyl)amino]propan-2-ol?
The canonical SMILES for 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[methyl(2-methylbutyl)amino]propan-2-ol is CCC(C)CN(C)CC(O)Cn1nc(C)c(N)c1C.
What is the InChIKey of 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[methyl(2-methylbutyl)amino]propan-2-ol?
The InChIKey is YWLADNVBBWBKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O/c1-6-10(2)7-17(5)8-13(19)9-18-12(4)14(15)11(3)16-18/h10,13,19H,6-9,15H2,1-5H3.
What are the key properties of 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[methyl(2-methylbutyl)amino]propan-2-ol?
1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[methyl(2-methylbutyl)amino]propan-2-ol has a molecular weight of 268.40 g/mol, XLogP of 1.42, 7 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-[methyl(2-methylbutyl)amino]propan-2-ol is sourced from PubChem (CID 63945448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).