1-(1-ethylpyrazol-4-yl)propane-1,2-diol

C8H14N2O2 — CID 103452757

IUPAC1-(1-ethylpyrazol-4-yl)propane-1,2-diol
SMILESCCn1cc(C(O)C(C)O)cn1
InChIInChI=1S/C8H14N2O2/c1-3-10-5-7(4-9-10)8(12)6(2)11/h4-6,8,11-12H,3H2,1-2H3
InChIKeyRBJPUAKVWFSXFT-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.32
Rot. Bonds3

About 1-(1-ethylpyrazol-4-yl)propane-1,2-diol

1-(1-ethylpyrazol-4-yl)propane-1,2-diol (PubChem CID 103452757) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 1-(1-ethylpyrazol-4-yl)propane-1,2-diol.

Molecular Properties

Compound Name1-(1-ethylpyrazol-4-yl)propane-1,2-diol
PubChem CID103452757
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name1-(1-ethylpyrazol-4-yl)propane-1,2-diol
SMILESCCn1cc(C(O)C(C)O)cn1
InChIInChI=1S/C8H14N2O2/c1-3-10-5-7(4-9-10)8(12)6(2)11/h4-6,8,11-12H,3H2,1-2H3
InChIKeyRBJPUAKVWFSXFT-UHFFFAOYSA-N
XLogP0.32
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-1-(1-ethylpyrazol-4-yl)butan-1-ol
CID 63894691
2-amino-1-(1-ethylpyrazol-4-yl)butan-1-ol
CID 103570009
2-cyclopropyl-1-(1-ethylpyrazol-4-yl)propan-1-ol
CID 115779051
2-[(1-ethylpyrazol-4-yl)-hydroxymethyl]-3-methylbutanoic acid
CID 103570644
4-(1-ethylpyrazol-4-yl)-4-hydroxy-3-methylbutanoic acid
CID 103570340
2-amino-1-(1-ethylpyrazol-4-yl)ethanol
CID 55264385
1-(1-ethylpyrazol-4-yl)-2-methylsulfonylethanol
CID 115601039
1-(1-ethylpyrazol-4-yl)dodecan-1-ol
CID 115778864
2-ethyl-1-(1-ethylpyrazol-4-yl)butane-1,2-diol
CID 103449416
1-ethyl-4-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole
CID 163865872
1-(1-ethylpyrazol-4-yl)-4-methoxy-3-methylbutan-1-ol
CID 105081848
(3,5-dimethylphenyl)-(1-ethylpyrazol-4-yl)methanol
CID 63894378

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrazol-4-yl)propane-1,2-diol?
The IUPAC name of 1-(1-ethylpyrazol-4-yl)propane-1,2-diol (CID 103452757) is 1-(1-ethylpyrazol-4-yl)propane-1,2-diol.
What is the SMILES notation for 1-(1-ethylpyrazol-4-yl)propane-1,2-diol?
The canonical SMILES for 1-(1-ethylpyrazol-4-yl)propane-1,2-diol is CCn1cc(C(O)C(C)O)cn1.
What is the InChIKey of 1-(1-ethylpyrazol-4-yl)propane-1,2-diol?
The InChIKey is RBJPUAKVWFSXFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-3-10-5-7(4-9-10)8(12)6(2)11/h4-6,8,11-12H,3H2,1-2H3.
What are the key properties of 1-(1-ethylpyrazol-4-yl)propane-1,2-diol?
1-(1-ethylpyrazol-4-yl)propane-1,2-diol has a molecular weight of 170.21 g/mol, XLogP of 0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrazol-4-yl)propane-1,2-diol is sourced from PubChem (CID 103452757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).