1-[3-(furan-3-yl)-1H-pyrazol-5-yl]ethane-1,2-diol

C9H10N2O3 — CID 155563594

IUPAC1-[3-(furan-3-yl)-1H-pyrazol-5-yl]ethane-1,2-diol
SMILESOCC(O)c1cc(-c2ccoc2)n[nH]1
InChIInChI=1S/C9H10N2O3/c12-4-9(13)8-3-7(10-11-8)6-1-2-14-5-6/h1-3,5,9,12-13H,4H2,(H,10,11)
InChIKeyPNXDDFQDPXQVTR-UHFFFAOYSA-N
MW194.19 g/mol
LogP0.70
Rot. Bonds3

About 1-[3-(furan-3-yl)-1H-pyrazol-5-yl]ethane-1,2-diol

1-[3-(furan-3-yl)-1H-pyrazol-5-yl]ethane-1,2-diol (PubChem CID 155563594) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is 1-[3-(furan-3-yl)-1H-pyrazol-5-yl]ethane-1,2-diol.

Molecular Properties

Compound Name1-[3-(furan-3-yl)-1H-pyrazol-5-yl]ethane-1,2-diol
PubChem CID155563594
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC Name1-[3-(furan-3-yl)-1H-pyrazol-5-yl]ethane-1,2-diol
SMILESOCC(O)c1cc(-c2ccoc2)n[nH]1
InChIInChI=1S/C9H10N2O3/c12-4-9(13)8-3-7(10-11-8)6-1-2-14-5-6/h1-3,5,9,12-13H,4H2,(H,10,11)
InChIKeyPNXDDFQDPXQVTR-UHFFFAOYSA-N
XLogP0.70
TPSA82.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-ethoxyphenyl)-1H-pyrazole-3-carboxylic acid
CID 3159737
4-[3-(2-furyl)-1H-pyrazol-5-yl]piperidine
CID 2764503
4-bromo-2-[5-(furan-2-yl)-1H-pyrazol-3-yl]phenol
CID 4407147
5-(2-Furyl)-3-methyl-1H-pyrazole
CID 700124
2-[5-(2-Furyl)-1H-pyrazol-3-yl]phenol
CID 614686
Methyl 5-furan-2-yl-3-methyl-1h-pyrazole-4-carboxylate
CID 2743394
[5-(1H-indazol-3-yl)furan-2-yl]methanol
CID 11424426
3-(2-Furyl)-N'-(1-(4-hydroxyphenyl)ethylidene)-1H-pyrazole-5-carbohydrazide
CID 135438887
3-(2-ethoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 3159738
4-chloro-2-[5-(furan-2-yl)-1H-pyrazol-3-yl]phenol
CID 5068970
3-(2-butoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 3160167
5-(furan-2-yl)-3-phenyl-1H-pyrazole
CID 835422

Frequently Asked Questions

What is the IUPAC name of 1-[3-(furan-3-yl)-1H-pyrazol-5-yl]ethane-1,2-diol?
The IUPAC name of 1-[3-(furan-3-yl)-1H-pyrazol-5-yl]ethane-1,2-diol (CID 155563594) is 1-[3-(furan-3-yl)-1H-pyrazol-5-yl]ethane-1,2-diol.
What is the SMILES notation for 1-[3-(furan-3-yl)-1H-pyrazol-5-yl]ethane-1,2-diol?
The canonical SMILES for 1-[3-(furan-3-yl)-1H-pyrazol-5-yl]ethane-1,2-diol is OCC(O)c1cc(-c2ccoc2)n[nH]1.
What is the InChIKey of 1-[3-(furan-3-yl)-1H-pyrazol-5-yl]ethane-1,2-diol?
The InChIKey is PNXDDFQDPXQVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3/c12-4-9(13)8-3-7(10-11-8)6-1-2-14-5-6/h1-3,5,9,12-13H,4H2,(H,10,11).
What are the key properties of 1-[3-(furan-3-yl)-1H-pyrazol-5-yl]ethane-1,2-diol?
1-[3-(furan-3-yl)-1H-pyrazol-5-yl]ethane-1,2-diol has a molecular weight of 194.19 g/mol, XLogP of 0.70, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(furan-3-yl)-1H-pyrazol-5-yl]ethane-1,2-diol is sourced from PubChem (CID 155563594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).