2-(3-amino-5-cyclopropylpyrazol-1-yl)ethanol

C8H13N3O — CID 97178895

IUPAC2-(3-amino-5-cyclopropylpyrazol-1-yl)ethanol
SMILESNc1cc(C2CC2)n(CCO)n1
InChIInChI=1S/C8H13N3O/c9-8-5-7(6-1-2-6)11(10-8)3-4-12/h5-6,12H,1-4H2,(H2,9,10)
InChIKeyCGNVBGRTHITTMS-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.34
Rot. Bonds3

About 2-(3-amino-5-cyclopropylpyrazol-1-yl)ethanol

2-(3-amino-5-cyclopropylpyrazol-1-yl)ethanol (PubChem CID 97178895) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 2-(3-amino-5-cyclopropylpyrazol-1-yl)ethanol.

Molecular Properties

Compound Name2-(3-amino-5-cyclopropylpyrazol-1-yl)ethanol
PubChem CID97178895
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name2-(3-amino-5-cyclopropylpyrazol-1-yl)ethanol
SMILESNc1cc(C2CC2)n(CCO)n1
InChIInChI=1S/C8H13N3O/c9-8-5-7(6-1-2-6)11(10-8)3-4-12/h5-6,12H,1-4H2,(H2,9,10)
InChIKeyCGNVBGRTHITTMS-UHFFFAOYSA-N
XLogP0.34
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-5-cyclopropylpyrazol-1-yl)ethanol?
The IUPAC name of 2-(3-amino-5-cyclopropylpyrazol-1-yl)ethanol (CID 97178895) is 2-(3-amino-5-cyclopropylpyrazol-1-yl)ethanol.
What is the SMILES notation for 2-(3-amino-5-cyclopropylpyrazol-1-yl)ethanol?
The canonical SMILES for 2-(3-amino-5-cyclopropylpyrazol-1-yl)ethanol is Nc1cc(C2CC2)n(CCO)n1.
What is the InChIKey of 2-(3-amino-5-cyclopropylpyrazol-1-yl)ethanol?
The InChIKey is CGNVBGRTHITTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c9-8-5-7(6-1-2-6)11(10-8)3-4-12/h5-6,12H,1-4H2,(H2,9,10).
What are the key properties of 2-(3-amino-5-cyclopropylpyrazol-1-yl)ethanol?
2-(3-amino-5-cyclopropylpyrazol-1-yl)ethanol has a molecular weight of 167.21 g/mol, XLogP of 0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-5-cyclopropylpyrazol-1-yl)ethanol is sourced from PubChem (CID 97178895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).