ethane;1H-furo[3,2-d]pyrazole

C7H10N2O — CID 164596147

IUPACethane;1H-furo[3,2-d]pyrazole
SMILESCC.c1cc2cn[nH]c2o1
InChIInChI=1S/C5H4N2O.C2H6/c1-2-8-5-4(1)3-6-7-5;1-2/h1-3H,(H,6,7);1-2H3
InChIKeyMQWAMRATHVAOLM-UHFFFAOYSA-N
MW138.17 g/mol
LogP2.18
Rot. Bonds

About ethane;1H-furo[3,2-d]pyrazole

ethane;1H-furo[3,2-d]pyrazole (PubChem CID 164596147) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is ethane;1H-furo[3,2-d]pyrazole.

Molecular Properties

Compound Nameethane;1H-furo[3,2-d]pyrazole
PubChem CID164596147
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Nameethane;1H-furo[3,2-d]pyrazole
SMILESCC.c1cc2cn[nH]c2o1
InChIInChI=1S/C5H4N2O.C2H6/c1-2-8-5-4(1)3-6-7-5;1-2/h1-3H,(H,6,7);1-2H3
InChIKeyMQWAMRATHVAOLM-UHFFFAOYSA-N
XLogP2.18
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;1H-furo[3,2-d]pyrazole?
The IUPAC name of ethane;1H-furo[3,2-d]pyrazole (CID 164596147) is ethane;1H-furo[3,2-d]pyrazole.
What is the SMILES notation for ethane;1H-furo[3,2-d]pyrazole?
The canonical SMILES for ethane;1H-furo[3,2-d]pyrazole is CC.c1cc2cn[nH]c2o1.
What is the InChIKey of ethane;1H-furo[3,2-d]pyrazole?
The InChIKey is MQWAMRATHVAOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N2O.C2H6/c1-2-8-5-4(1)3-6-7-5;1-2/h1-3H,(H,6,7);1-2H3.
What are the key properties of ethane;1H-furo[3,2-d]pyrazole?
ethane;1H-furo[3,2-d]pyrazole has a molecular weight of 138.17 g/mol, XLogP of 2.18, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1H-furo[3,2-d]pyrazole is sourced from PubChem (CID 164596147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).