2-amino-2-(3-cyclopropyl-1-methylpyrazol-4-yl)ethanol

C9H15N3O — CID 83828376

IUPAC2-amino-2-(3-cyclopropyl-1-methylpyrazol-4-yl)ethanol
SMILESCn1cc(C(N)CO)c(C2CC2)n1
InChIInChI=1S/C9H15N3O/c1-12-4-7(8(10)5-13)9(11-12)6-2-3-6/h4,6,8,13H,2-3,5,10H2,1H3
InChIKeyHXHMKQSKNHGROE-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.29
Rot. Bonds3

About 2-amino-2-(3-cyclopropyl-1-methylpyrazol-4-yl)ethanol

2-amino-2-(3-cyclopropyl-1-methylpyrazol-4-yl)ethanol (PubChem CID 83828376) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 2-amino-2-(3-cyclopropyl-1-methylpyrazol-4-yl)ethanol.

Molecular Properties

Compound Name2-amino-2-(3-cyclopropyl-1-methylpyrazol-4-yl)ethanol
PubChem CID83828376
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name2-amino-2-(3-cyclopropyl-1-methylpyrazol-4-yl)ethanol
SMILESCn1cc(C(N)CO)c(C2CC2)n1
InChIInChI=1S/C9H15N3O/c1-12-4-7(8(10)5-13)9(11-12)6-2-3-6/h4,6,8,13H,2-3,5,10H2,1H3
InChIKeyHXHMKQSKNHGROE-UHFFFAOYSA-N
XLogP0.29
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(3-cyclopropyl-1-methylpyrazol-4-yl)ethanol?
The IUPAC name of 2-amino-2-(3-cyclopropyl-1-methylpyrazol-4-yl)ethanol (CID 83828376) is 2-amino-2-(3-cyclopropyl-1-methylpyrazol-4-yl)ethanol.
What is the SMILES notation for 2-amino-2-(3-cyclopropyl-1-methylpyrazol-4-yl)ethanol?
The canonical SMILES for 2-amino-2-(3-cyclopropyl-1-methylpyrazol-4-yl)ethanol is Cn1cc(C(N)CO)c(C2CC2)n1.
What is the InChIKey of 2-amino-2-(3-cyclopropyl-1-methylpyrazol-4-yl)ethanol?
The InChIKey is HXHMKQSKNHGROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-12-4-7(8(10)5-13)9(11-12)6-2-3-6/h4,6,8,13H,2-3,5,10H2,1H3.
What are the key properties of 2-amino-2-(3-cyclopropyl-1-methylpyrazol-4-yl)ethanol?
2-amino-2-(3-cyclopropyl-1-methylpyrazol-4-yl)ethanol has a molecular weight of 181.24 g/mol, XLogP of 0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(3-cyclopropyl-1-methylpyrazol-4-yl)ethanol is sourced from PubChem (CID 83828376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).