4-amino-2-(2-hydroxyethyl)-5-propan-2-yl-1H-pyrazol-3-one

C8H15N3O2 — CID 103994829

IUPAC4-amino-2-(2-hydroxyethyl)-5-propan-2-yl-1H-pyrazol-3-one
SMILESCC(C)c1[nH]n(CCO)c(=O)c1N
InChIInChI=1S/C8H15N3O2/c1-5(2)7-6(9)8(13)11(10-7)3-4-12/h5,10,12H,3-4,9H2,1-2H3
InChIKeyFAATZJKIWOPMCX-UHFFFAOYSA-N
MW185.23 g/mol
LogP-0.13
Rot. Bonds3

About 4-amino-2-(2-hydroxyethyl)-5-propan-2-yl-1H-pyrazol-3-one

4-amino-2-(2-hydroxyethyl)-5-propan-2-yl-1H-pyrazol-3-one (PubChem CID 103994829) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is 4-amino-2-(2-hydroxyethyl)-5-propan-2-yl-1H-pyrazol-3-one.

Molecular Properties

Compound Name4-amino-2-(2-hydroxyethyl)-5-propan-2-yl-1H-pyrazol-3-one
PubChem CID103994829
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC Name4-amino-2-(2-hydroxyethyl)-5-propan-2-yl-1H-pyrazol-3-one
SMILESCC(C)c1[nH]n(CCO)c(=O)c1N
InChIInChI=1S/C8H15N3O2/c1-5(2)7-6(9)8(13)11(10-7)3-4-12/h5,10,12H,3-4,9H2,1-2H3
InChIKeyFAATZJKIWOPMCX-UHFFFAOYSA-N
XLogP-0.13
TPSA84.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(2-hydroxyethyl)-5-propan-2-yl-1H-pyrazol-3-one?
The IUPAC name of 4-amino-2-(2-hydroxyethyl)-5-propan-2-yl-1H-pyrazol-3-one (CID 103994829) is 4-amino-2-(2-hydroxyethyl)-5-propan-2-yl-1H-pyrazol-3-one.
What is the SMILES notation for 4-amino-2-(2-hydroxyethyl)-5-propan-2-yl-1H-pyrazol-3-one?
The canonical SMILES for 4-amino-2-(2-hydroxyethyl)-5-propan-2-yl-1H-pyrazol-3-one is CC(C)c1[nH]n(CCO)c(=O)c1N.
What is the InChIKey of 4-amino-2-(2-hydroxyethyl)-5-propan-2-yl-1H-pyrazol-3-one?
The InChIKey is FAATZJKIWOPMCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2/c1-5(2)7-6(9)8(13)11(10-7)3-4-12/h5,10,12H,3-4,9H2,1-2H3.
What are the key properties of 4-amino-2-(2-hydroxyethyl)-5-propan-2-yl-1H-pyrazol-3-one?
4-amino-2-(2-hydroxyethyl)-5-propan-2-yl-1H-pyrazol-3-one has a molecular weight of 185.23 g/mol, XLogP of -0.13, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(2-hydroxyethyl)-5-propan-2-yl-1H-pyrazol-3-one is sourced from PubChem (CID 103994829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).