4,5-bis(ethenyl)-1H-pyrazole;ethane;molecular hydrogen

C9H16N2 — CID 142810838

IUPAC4,5-bis(ethenyl)-1H-pyrazole;ethane;molecular hydrogen
SMILESC=Cc1cn[nH]c1C=C.CC.[H][H]
InChIInChI=1S/C7H8N2.C2H6.H2/c1-3-6-5-8-9-7(6)4-2;1-2;/h3-5H,1-2H2,(H,8,9);1-2H3;1H
InChIKeySOSNXLPHNIQZAX-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.97
Rot. Bonds2

About 4,5-bis(ethenyl)-1H-pyrazole;ethane;molecular hydrogen

4,5-bis(ethenyl)-1H-pyrazole;ethane;molecular hydrogen (PubChem CID 142810838) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 4,5-bis(ethenyl)-1H-pyrazole;ethane;molecular hydrogen.

Molecular Properties

Compound Name4,5-bis(ethenyl)-1H-pyrazole;ethane;molecular hydrogen
PubChem CID142810838
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name4,5-bis(ethenyl)-1H-pyrazole;ethane;molecular hydrogen
SMILESC=Cc1cn[nH]c1C=C.CC.[H][H]
InChIInChI=1S/C7H8N2.C2H6.H2/c1-3-6-5-8-9-7(6)4-2;1-2;/h3-5H,1-2H2,(H,8,9);1-2H3;1H
InChIKeySOSNXLPHNIQZAX-UHFFFAOYSA-N
XLogP2.97
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,5-bis(ethenyl)-1H-pyrazole;ethane;molecular hydrogen?
The IUPAC name of 4,5-bis(ethenyl)-1H-pyrazole;ethane;molecular hydrogen (CID 142810838) is 4,5-bis(ethenyl)-1H-pyrazole;ethane;molecular hydrogen.
What is the SMILES notation for 4,5-bis(ethenyl)-1H-pyrazole;ethane;molecular hydrogen?
The canonical SMILES for 4,5-bis(ethenyl)-1H-pyrazole;ethane;molecular hydrogen is C=Cc1cn[nH]c1C=C.CC.[H][H].
What is the InChIKey of 4,5-bis(ethenyl)-1H-pyrazole;ethane;molecular hydrogen?
The InChIKey is SOSNXLPHNIQZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2.C2H6.H2/c1-3-6-5-8-9-7(6)4-2;1-2;/h3-5H,1-2H2,(H,8,9);1-2H3;1H.
What are the key properties of 4,5-bis(ethenyl)-1H-pyrazole;ethane;molecular hydrogen?
4,5-bis(ethenyl)-1H-pyrazole;ethane;molecular hydrogen has a molecular weight of 152.24 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(ethenyl)-1H-pyrazole;ethane;molecular hydrogen is sourced from PubChem (CID 142810838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).