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

C12H24N4O — CID 62333824

IUPAC1-[[2-amino-1-(1-methylpyrazol-4-yl)butyl]-methylamino]propan-2-ol
SMILESCCC(N)C(c1cnn(C)c1)N(C)CC(C)O
InChIInChI=1S/C12H24N4O/c1-5-11(13)12(15(3)7-9(2)17)10-6-14-16(4)8-10/h6,8-9,11-12,17H,5,7,13H2,1-4H3
InChIKeyFDUWSURSDLITHA-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.51
Rot. Bonds6

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

1-[[2-amino-1-(1-methylpyrazol-4-yl)butyl]-methylamino]propan-2-ol (PubChem CID 62333824) has the molecular formula C12H24N4O and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-[[2-amino-1-(1-methylpyrazol-4-yl)butyl]-methylamino]propan-2-ol.

Molecular Properties

Compound Name1-[[2-amino-1-(1-methylpyrazol-4-yl)butyl]-methylamino]propan-2-ol
PubChem CID62333824
Molecular FormulaC12H24N4O
Molecular Weight240.35 g/mol
Exact Mass240.20
IUPAC Name1-[[2-amino-1-(1-methylpyrazol-4-yl)butyl]-methylamino]propan-2-ol
SMILESCCC(N)C(c1cnn(C)c1)N(C)CC(C)O
InChIInChI=1S/C12H24N4O/c1-5-11(13)12(15(3)7-9(2)17)10-6-14-16(4)8-10/h6,8-9,11-12,17H,5,7,13H2,1-4H3
InChIKeyFDUWSURSDLITHA-UHFFFAOYSA-N
XLogP0.51
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 ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[2-amino-1-(1-methylpyrazol-4-yl)propyl]-methylamino]propan-2-ol
CID 62333639
1-N-methyl-1-(1-methylpyrazol-4-yl)-1-N-(1-methylsulfanylpropan-2-yl)butane-1,2-diamine
CID 112657725
1-[(2-amino-1-pyridin-3-ylbutyl)-methylamino]propan-2-ol
CID 55061112
1-N-methyl-1-(1-methylpyrazol-4-yl)-1-N-[(1-methylpyrrolidin-2-yl)methyl]butane-1,2-diamine
CID 79304553
1-amino-1-(1-methylpyrazol-4-yl)butan-2-ol
CID 82412738
2-methyl-1-(1-methylpyrazol-4-yl)butan-1-ol
CID 61088216
N'-(3,3-dimethylbutan-2-yl)-N'-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 113280046
N-butan-2-yl-N-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 43272781
N'-methyl-1-(1-methylpyrazol-4-yl)-N'-propylethane-1,2-diamine
CID 115291130
1-(1-methylpyrazol-4-yl)-N',N'-dipropylethane-1,2-diamine
CID 115291096
3-amino-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pentan-1-ol
CID 104840370
2-(3-methylpentan-2-ylamino)-1-(1-methylpyrazol-4-yl)ethanol
CID 115723874

Frequently Asked Questions

What is the IUPAC name of 1-[[2-amino-1-(1-methylpyrazol-4-yl)butyl]-methylamino]propan-2-ol?
The IUPAC name of 1-[[2-amino-1-(1-methylpyrazol-4-yl)butyl]-methylamino]propan-2-ol (CID 62333824) is 1-[[2-amino-1-(1-methylpyrazol-4-yl)butyl]-methylamino]propan-2-ol.
What is the SMILES notation for 1-[[2-amino-1-(1-methylpyrazol-4-yl)butyl]-methylamino]propan-2-ol?
The canonical SMILES for 1-[[2-amino-1-(1-methylpyrazol-4-yl)butyl]-methylamino]propan-2-ol is CCC(N)C(c1cnn(C)c1)N(C)CC(C)O.
What is the InChIKey of 1-[[2-amino-1-(1-methylpyrazol-4-yl)butyl]-methylamino]propan-2-ol?
The InChIKey is FDUWSURSDLITHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O/c1-5-11(13)12(15(3)7-9(2)17)10-6-14-16(4)8-10/h6,8-9,11-12,17H,5,7,13H2,1-4H3.
What are the key properties of 1-[[2-amino-1-(1-methylpyrazol-4-yl)butyl]-methylamino]propan-2-ol?
1-[[2-amino-1-(1-methylpyrazol-4-yl)butyl]-methylamino]propan-2-ol has a molecular weight of 240.35 g/mol, XLogP of 0.51, 6 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)butyl]-methylamino]propan-2-ol is sourced from PubChem (CID 62333824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).