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

C15H22N4O — CID 65483698

IUPAC1-(4-aminopyrazol-1-yl)-3-[methyl(2-phenylethyl)amino]propan-2-ol
SMILESCN(CCc1ccccc1)CC(O)Cn1cc(N)cn1
InChIInChI=1S/C15H22N4O/c1-18(8-7-13-5-3-2-4-6-13)11-15(20)12-19-10-14(16)9-17-19/h2-6,9-10,15,20H,7-8,11-12,16H2,1H3
InChIKeyVFFHSQBWUSXYTH-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.00
Rot. Bonds7

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

1-(4-aminopyrazol-1-yl)-3-[methyl(2-phenylethyl)amino]propan-2-ol (PubChem CID 65483698) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 1-(4-aminopyrazol-1-yl)-3-[methyl(2-phenylethyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(4-aminopyrazol-1-yl)-3-[methyl(2-phenylethyl)amino]propan-2-ol
PubChem CID65483698
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name1-(4-aminopyrazol-1-yl)-3-[methyl(2-phenylethyl)amino]propan-2-ol
SMILESCN(CCc1ccccc1)CC(O)Cn1cc(N)cn1
InChIInChI=1S/C15H22N4O/c1-18(8-7-13-5-3-2-4-6-13)11-15(20)12-19-10-14(16)9-17-19/h2-6,9-10,15,20H,7-8,11-12,16H2,1H3
InChIKeyVFFHSQBWUSXYTH-UHFFFAOYSA-N
XLogP1.00
TPSA67.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-aminopyrazol-1-yl)-3-[(2-chlorophenyl)methyl-methylamino]propan-2-ol
CID 61416751
2-[[3-(4-aminopyrazol-1-yl)-2-hydroxypropyl]-methylamino]acetamide
CID 43373776
(2S)-1-[methyl(3-phenylpropyl)amino]-3-pyrazol-1-ylpropan-2-ol
CID 94174337
2-[[3-(4-aminopyrazol-1-yl)-2-hydroxypropyl]-methylamino]-N-methylacetamide
CID 43374449
1-(4-aminopyrazol-1-yl)-3-[methyl(2-methylbutan-2-yl)amino]propan-2-ol
CID 63982844
1-(4-aminopyrazol-1-yl)-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propan-2-ol
CID 63233045
1-(4-aminopyrazol-1-yl)-3-[3,3-dimethylbutan-2-yl(methyl)amino]propan-2-ol
CID 55007027
1-(4-aminopyrazol-1-yl)-3-[methyl(oxan-4-yl)amino]propan-2-ol
CID 43610733
1-(2-phenylpropyl)pyrazol-4-amine
CID 50999732
1-(4-aminopyrazol-1-yl)-3-methylbutan-2-ol
CID 83529434
2-(4-aminopyrazol-1-yl)-N-(4-phenylbutan-2-yl)acetamide
CID 61113208
1-cyclopentyl-3-[methyl(2-phenylethyl)amino]propan-2-ol
CID 103160083

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopyrazol-1-yl)-3-[methyl(2-phenylethyl)amino]propan-2-ol?
The IUPAC name of 1-(4-aminopyrazol-1-yl)-3-[methyl(2-phenylethyl)amino]propan-2-ol (CID 65483698) is 1-(4-aminopyrazol-1-yl)-3-[methyl(2-phenylethyl)amino]propan-2-ol.
What is the SMILES notation for 1-(4-aminopyrazol-1-yl)-3-[methyl(2-phenylethyl)amino]propan-2-ol?
The canonical SMILES for 1-(4-aminopyrazol-1-yl)-3-[methyl(2-phenylethyl)amino]propan-2-ol is CN(CCc1ccccc1)CC(O)Cn1cc(N)cn1.
What is the InChIKey of 1-(4-aminopyrazol-1-yl)-3-[methyl(2-phenylethyl)amino]propan-2-ol?
The InChIKey is VFFHSQBWUSXYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-18(8-7-13-5-3-2-4-6-13)11-15(20)12-19-10-14(16)9-17-19/h2-6,9-10,15,20H,7-8,11-12,16H2,1H3.
What are the key properties of 1-(4-aminopyrazol-1-yl)-3-[methyl(2-phenylethyl)amino]propan-2-ol?
1-(4-aminopyrazol-1-yl)-3-[methyl(2-phenylethyl)amino]propan-2-ol has a molecular weight of 274.37 g/mol, XLogP of 1.00, 7 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-phenylethyl)amino]propan-2-ol is sourced from PubChem (CID 65483698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).