1-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)-methylamino]propan-2-ol

C11H22N4O — CID 66019786

IUPAC1-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)-methylamino]propan-2-ol
SMILESCC(O)CN(C)c1c(N)c(C(C)C)nn1C
InChIInChI=1S/C11H22N4O/c1-7(2)10-9(12)11(15(5)13-10)14(4)6-8(3)16/h7-8,16H,6,12H2,1-5H3
InChIKeyHGMFFJXHHZEDIF-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.94
Rot. Bonds4

About 1-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)-methylamino]propan-2-ol

1-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)-methylamino]propan-2-ol (PubChem CID 66019786) has the molecular formula C11H22N4O and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)-methylamino]propan-2-ol.

Molecular Properties

Compound Name1-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)-methylamino]propan-2-ol
PubChem CID66019786
Molecular FormulaC11H22N4O
Molecular Weight226.32 g/mol
Exact Mass226.18
IUPAC Name1-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)-methylamino]propan-2-ol
SMILESCC(O)CN(C)c1c(N)c(C(C)C)nn1C
InChIInChI=1S/C11H22N4O/c1-7(2)10-9(12)11(15(5)13-10)14(4)6-8(3)16/h7-8,16H,6,12H2,1-5H3
InChIKeyHGMFFJXHHZEDIF-UHFFFAOYSA-N
XLogP0.94
TPSA67.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-N,1-dimethyl-5-N-(2-methylbutyl)-3-propan-2-ylpyrazole-4,5-diamine
CID 66017999
2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)-methylamino]ethanol
CID 66019160
5-N-(2,2-dimethylpropyl)-5-N,1-dimethyl-3-propan-2-ylpyrazole-4,5-diamine
CID 66019013
5-N,1-dimethyl-5-N-[2-(methylamino)ethyl]-3-propan-2-ylpyrazole-4,5-diamine
CID 66011559
5-N-(2-ethoxyethyl)-5-N,1-dimethyl-3-propan-2-ylpyrazole-4,5-diamine
CID 81059062
2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)-(2-hydroxyethyl)amino]ethanol
CID 66019367
5-N,1-dimethyl-5-N-[(1-methylimidazol-2-yl)methyl]-3-propan-2-ylpyrazole-4,5-diamine
CID 66012525
5-N,1-dimethyl-5-N-[(1-methylpyrrolidin-3-yl)methyl]-3-propan-2-ylpyrazole-4,5-diamine
CID 66011553
1-[[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]propan-2-ol
CID 62336030
5-N,1-dimethyl-5-N-(1-methylsulfanylbutan-2-yl)-3-propan-2-ylpyrazole-4,5-diamine
CID 112656930
5-N-[(5-bromothiophen-3-yl)methyl]-5-N,1-dimethyl-3-propan-2-ylpyrazole-4,5-diamine
CID 66018219
5-N-cyclopropyl-1-methyl-5-N-(3-methylbutyl)-3-propan-2-ylpyrazole-4,5-diamine
CID 79026644

Frequently Asked Questions

What is the IUPAC name of 1-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)-methylamino]propan-2-ol?
The IUPAC name of 1-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)-methylamino]propan-2-ol (CID 66019786) is 1-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)-methylamino]propan-2-ol.
What is the SMILES notation for 1-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)-methylamino]propan-2-ol?
The canonical SMILES for 1-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)-methylamino]propan-2-ol is CC(O)CN(C)c1c(N)c(C(C)C)nn1C.
What is the InChIKey of 1-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)-methylamino]propan-2-ol?
The InChIKey is HGMFFJXHHZEDIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O/c1-7(2)10-9(12)11(15(5)13-10)14(4)6-8(3)16/h7-8,16H,6,12H2,1-5H3.
What are the key properties of 1-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)-methylamino]propan-2-ol?
1-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)-methylamino]propan-2-ol has a molecular weight of 226.32 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)-methylamino]propan-2-ol is sourced from PubChem (CID 66019786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).