2-[(4-amino-1,3-dimethylpyrazol-5-yl)-methylamino]ethanol

C8H16N4O — CID 43554229

IUPAC2-[(4-amino-1,3-dimethylpyrazol-5-yl)-methylamino]ethanol
SMILESCc1nn(C)c(N(C)CCO)c1N
InChIInChI=1S/C8H16N4O/c1-6-7(9)8(12(3)10-6)11(2)4-5-13/h13H,4-5,9H2,1-3H3
InChIKeyPTGMHOODXNXLHS-UHFFFAOYSA-N
MW184.24 g/mol
LogP-0.26
Rot. Bonds3

About 2-[(4-amino-1,3-dimethylpyrazol-5-yl)-methylamino]ethanol

2-[(4-amino-1,3-dimethylpyrazol-5-yl)-methylamino]ethanol (PubChem CID 43554229) has the molecular formula C8H16N4O and a molecular weight of 184.24 g/mol. Its IUPAC name is 2-[(4-amino-1,3-dimethylpyrazol-5-yl)-methylamino]ethanol.

Molecular Properties

Compound Name2-[(4-amino-1,3-dimethylpyrazol-5-yl)-methylamino]ethanol
PubChem CID43554229
Molecular FormulaC8H16N4O
Molecular Weight184.24 g/mol
Exact Mass184.13
IUPAC Name2-[(4-amino-1,3-dimethylpyrazol-5-yl)-methylamino]ethanol
SMILESCc1nn(C)c(N(C)CCO)c1N
InChIInChI=1S/C8H16N4O/c1-6-7(9)8(12(3)10-6)11(2)4-5-13/h13H,4-5,9H2,1-3H3
InChIKeyPTGMHOODXNXLHS-UHFFFAOYSA-N
XLogP-0.26
TPSA67.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]ethanol
CID 60961185
2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)-methylamino]ethanol
CID 66019160
5-N-(3-methoxypropyl)-5-N,1,3-trimethylpyrazole-4,5-diamine
CID 62985720
2-[(4-amino-1,3-dimethylpyrazol-5-yl)-cyclohexylamino]ethanol
CID 54993676
2-[(4-amino-1,3-dimethylpyrazol-5-yl)-methylamino]propan-1-ol
CID 104551141
2-[[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]ethanol
CID 60960906
5-N-(cyclohexylmethyl)-5-N,1,3-trimethylpyrazole-4,5-diamine
CID 61444659
5-N,1,3-trimethyl-5-N-(oxan-4-ylmethyl)pyrazole-4,5-diamine
CID 55228543
5-N-butyl-5-N-ethyl-1,3-dimethylpyrazole-4,5-diamine
CID 43553970
5-N,1,3-trimethyl-5-N-(pyridin-2-ylmethyl)pyrazole-4,5-diamine
CID 43564929
3-ethyl-5-N,1-dimethyl-5-N-propylpyrazole-4,5-diamine
CID 66014379
5-N,3-dimethyl-5-N-pentyl-1-propylpyrazole-4,5-diamine
CID 66027038

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-1,3-dimethylpyrazol-5-yl)-methylamino]ethanol?
The IUPAC name of 2-[(4-amino-1,3-dimethylpyrazol-5-yl)-methylamino]ethanol (CID 43554229) is 2-[(4-amino-1,3-dimethylpyrazol-5-yl)-methylamino]ethanol.
What is the SMILES notation for 2-[(4-amino-1,3-dimethylpyrazol-5-yl)-methylamino]ethanol?
The canonical SMILES for 2-[(4-amino-1,3-dimethylpyrazol-5-yl)-methylamino]ethanol is Cc1nn(C)c(N(C)CCO)c1N.
What is the InChIKey of 2-[(4-amino-1,3-dimethylpyrazol-5-yl)-methylamino]ethanol?
The InChIKey is PTGMHOODXNXLHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O/c1-6-7(9)8(12(3)10-6)11(2)4-5-13/h13H,4-5,9H2,1-3H3.
What are the key properties of 2-[(4-amino-1,3-dimethylpyrazol-5-yl)-methylamino]ethanol?
2-[(4-amino-1,3-dimethylpyrazol-5-yl)-methylamino]ethanol has a molecular weight of 184.24 g/mol, XLogP of -0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-1,3-dimethylpyrazol-5-yl)-methylamino]ethanol is sourced from PubChem (CID 43554229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).