1-(5-cyclopropyl-1H-pyrazol-3-yl)ethane-1,2-diol

C8H12N2O2 — CID 155511544

IUPAC1-(5-cyclopropyl-1H-pyrazol-3-yl)ethane-1,2-diol
SMILESOCC(O)c1cc(C2CC2)[nH]n1
InChIInChI=1S/C8H12N2O2/c11-4-8(12)7-3-6(9-10-7)5-1-2-5/h3,5,8,11-12H,1-2,4H2,(H,9,10)
InChIKeyRYPSGEROSUUWKZ-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.31
Rot. Bonds3

About 1-(5-cyclopropyl-1H-pyrazol-3-yl)ethane-1,2-diol

1-(5-cyclopropyl-1H-pyrazol-3-yl)ethane-1,2-diol (PubChem CID 155511544) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 1-(5-cyclopropyl-1H-pyrazol-3-yl)ethane-1,2-diol.

Molecular Properties

Compound Name1-(5-cyclopropyl-1H-pyrazol-3-yl)ethane-1,2-diol
PubChem CID155511544
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name1-(5-cyclopropyl-1H-pyrazol-3-yl)ethane-1,2-diol
SMILESOCC(O)c1cc(C2CC2)[nH]n1
InChIInChI=1S/C8H12N2O2/c11-4-8(12)7-3-6(9-10-7)5-1-2-5/h3,5,8,11-12H,1-2,4H2,(H,9,10)
InChIKeyRYPSGEROSUUWKZ-UHFFFAOYSA-N
XLogP0.31
TPSA69.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-cyclopropyl-1H-pyrazol-3-yl)ethane-1,2-diol?
The IUPAC name of 1-(5-cyclopropyl-1H-pyrazol-3-yl)ethane-1,2-diol (CID 155511544) is 1-(5-cyclopropyl-1H-pyrazol-3-yl)ethane-1,2-diol.
What is the SMILES notation for 1-(5-cyclopropyl-1H-pyrazol-3-yl)ethane-1,2-diol?
The canonical SMILES for 1-(5-cyclopropyl-1H-pyrazol-3-yl)ethane-1,2-diol is OCC(O)c1cc(C2CC2)[nH]n1.
What is the InChIKey of 1-(5-cyclopropyl-1H-pyrazol-3-yl)ethane-1,2-diol?
The InChIKey is RYPSGEROSUUWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c11-4-8(12)7-3-6(9-10-7)5-1-2-5/h3,5,8,11-12H,1-2,4H2,(H,9,10).
What are the key properties of 1-(5-cyclopropyl-1H-pyrazol-3-yl)ethane-1,2-diol?
1-(5-cyclopropyl-1H-pyrazol-3-yl)ethane-1,2-diol has a molecular weight of 168.20 g/mol, XLogP of 0.31, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyclopropyl-1H-pyrazol-3-yl)ethane-1,2-diol is sourced from PubChem (CID 155511544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).