2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)-(2-hydroxyethyl)amino]ethanol

C11H22N4O2 — CID 66019367

IUPAC2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)-(2-hydroxyethyl)amino]ethanol
SMILESCC(C)c1nn(C)c(N(CCO)CCO)c1N
InChIInChI=1S/C11H22N4O2/c1-8(2)10-9(12)11(14(3)13-10)15(4-6-16)5-7-17/h8,16-17H,4-7,12H2,1-3H3
InChIKeyYZGJUKGXSWIJQN-UHFFFAOYSA-N
MW242.32 g/mol
LogP-0.08
Rot. Bonds6

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

2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)-(2-hydroxyethyl)amino]ethanol (PubChem CID 66019367) has the molecular formula C11H22N4O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)-(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)-(2-hydroxyethyl)amino]ethanol
PubChem CID66019367
Molecular FormulaC11H22N4O2
Molecular Weight242.32 g/mol
Exact Mass242.17
IUPAC Name2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)-(2-hydroxyethyl)amino]ethanol
SMILESCC(C)c1nn(C)c(N(CCO)CCO)c1N
InChIInChI=1S/C11H22N4O2/c1-8(2)10-9(12)11(14(3)13-10)15(4-6-16)5-7-17/h8,16-17H,4-7,12H2,1-3H3
InChIKeyYZGJUKGXSWIJQN-UHFFFAOYSA-N
XLogP-0.08
TPSA87.54 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)-(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)-(2-hydroxyethyl)amino]ethanol (CID 66019367) is 2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)-(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)-(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)-(2-hydroxyethyl)amino]ethanol is CC(C)c1nn(C)c(N(CCO)CCO)c1N.
What is the InChIKey of 2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)-(2-hydroxyethyl)amino]ethanol?
The InChIKey is YZGJUKGXSWIJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O2/c1-8(2)10-9(12)11(14(3)13-10)15(4-6-16)5-7-17/h8,16-17H,4-7,12H2,1-3H3.
What are the key properties of 2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)-(2-hydroxyethyl)amino]ethanol?
2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)-(2-hydroxyethyl)amino]ethanol has a molecular weight of 242.32 g/mol, XLogP of -0.08, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)-(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 66019367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).