1-[[2-amino-1-(1-methylpyrazol-4-yl)propyl]-methylamino]propan-2-ol

C11H22N4O — CID 62333639

IUPAC1-[[2-amino-1-(1-methylpyrazol-4-yl)propyl]-methylamino]propan-2-ol
SMILESCC(O)CN(C)C(c1cnn(C)c1)C(C)N
InChIInChI=1S/C11H22N4O/c1-8(16)6-14(3)11(9(2)12)10-5-13-15(4)7-10/h5,7-9,11,16H,6,12H2,1-4H3
InChIKeyAPIDBNKVFRTXEN-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.12
Rot. Bonds5

About 1-[[2-amino-1-(1-methylpyrazol-4-yl)propyl]-methylamino]propan-2-ol

1-[[2-amino-1-(1-methylpyrazol-4-yl)propyl]-methylamino]propan-2-ol (PubChem CID 62333639) has the molecular formula C11H22N4O and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-[[2-amino-1-(1-methylpyrazol-4-yl)propyl]-methylamino]propan-2-ol.

Molecular Properties

Compound Name1-[[2-amino-1-(1-methylpyrazol-4-yl)propyl]-methylamino]propan-2-ol
PubChem CID62333639
Molecular FormulaC11H22N4O
Molecular Weight226.32 g/mol
Exact Mass226.18
IUPAC Name1-[[2-amino-1-(1-methylpyrazol-4-yl)propyl]-methylamino]propan-2-ol
SMILESCC(O)CN(C)C(c1cnn(C)c1)C(C)N
InChIInChI=1S/C11H22N4O/c1-8(16)6-14(3)11(9(2)12)10-5-13-15(4)7-10/h5,7-9,11,16H,6,12H2,1-4H3
InChIKeyAPIDBNKVFRTXEN-UHFFFAOYSA-N
XLogP0.12
TPSA67.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[2-amino-1-(1-methylpyrazol-4-yl)butyl]-methylamino]propan-2-ol
CID 62333824
N'-(3,3-dimethylbutan-2-yl)-N'-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 113280046
(3R)-3-amino-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 94420132
(2S)-2-amino-2-(1-methylpyrazol-4-yl)ethanol
CID 93471722
1-amino-1-(1-methylpyrazol-4-yl)butan-2-ol
CID 82412738
3-[2-amino-1-(1-methylpyrazol-4-yl)propyl]sulfanylpropan-1-ol
CID 66115460
N'-methyl-1-(1-methylpyrazol-4-yl)-N'-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 112660793
N'-methyl-1-(1-methylpyrazol-4-yl)-N'-propylethane-1,2-diamine
CID 115291130
(1R)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 93094324
1-N-methyl-1-(1-methylpyrazol-4-yl)-1-N-(1-methylsulfanylpropan-2-yl)butane-1,2-diamine
CID 112657725
2-methyl-1-(1-methylpyrazol-4-yl)butan-1-ol
CID 61088216
1-(1-methylpyrazol-4-yl)-N',N'-dipropylethane-1,2-diamine
CID 115291096

Frequently Asked Questions

What is the IUPAC name of 1-[[2-amino-1-(1-methylpyrazol-4-yl)propyl]-methylamino]propan-2-ol?
The IUPAC name of 1-[[2-amino-1-(1-methylpyrazol-4-yl)propyl]-methylamino]propan-2-ol (CID 62333639) is 1-[[2-amino-1-(1-methylpyrazol-4-yl)propyl]-methylamino]propan-2-ol.
What is the SMILES notation for 1-[[2-amino-1-(1-methylpyrazol-4-yl)propyl]-methylamino]propan-2-ol?
The canonical SMILES for 1-[[2-amino-1-(1-methylpyrazol-4-yl)propyl]-methylamino]propan-2-ol is CC(O)CN(C)C(c1cnn(C)c1)C(C)N.
What is the InChIKey of 1-[[2-amino-1-(1-methylpyrazol-4-yl)propyl]-methylamino]propan-2-ol?
The InChIKey is APIDBNKVFRTXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O/c1-8(16)6-14(3)11(9(2)12)10-5-13-15(4)7-10/h5,7-9,11,16H,6,12H2,1-4H3.
What are the key properties of 1-[[2-amino-1-(1-methylpyrazol-4-yl)propyl]-methylamino]propan-2-ol?
1-[[2-amino-1-(1-methylpyrazol-4-yl)propyl]-methylamino]propan-2-ol has a molecular weight of 226.32 g/mol, XLogP of 0.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-amino-1-(1-methylpyrazol-4-yl)propyl]-methylamino]propan-2-ol is sourced from PubChem (CID 62333639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).