5-ethenyl-1H-pyrazole

C5H6N2 — CID 565051

IUPAC5-ethenyl-1H-pyrazole
SMILESC=Cc1ccn[nH]1
InChIInChI=1S/C5H6N2/c1-2-5-3-4-6-7-5/h2-4H,1H2,(H,6,7)
InChIKeyYPIINMAYDTYYSQ-UHFFFAOYSA-N
MW94.12 g/mol
LogP1.05
Rot. Bonds1

About 5-ethenyl-1H-pyrazole

5-ethenyl-1H-pyrazole (PubChem CID 565051) has the molecular formula C5H6N2 and a molecular weight of 94.12 g/mol. Its IUPAC name is 5-ethenyl-1H-pyrazole.

Molecular Properties

Compound Name5-ethenyl-1H-pyrazole
PubChem CID565051
Molecular FormulaC5H6N2
Molecular Weight94.12 g/mol
Exact Mass94.05
IUPAC Name5-ethenyl-1H-pyrazole
SMILESC=Cc1ccn[nH]1
InChIInChI=1S/C5H6N2/c1-2-5-3-4-6-7-5/h2-4H,1H2,(H,6,7)
InChIKeyYPIINMAYDTYYSQ-UHFFFAOYSA-N
XLogP1.05
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50094.12
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-1H-pyrazole?
The IUPAC name of 5-ethenyl-1H-pyrazole (CID 565051) is 5-ethenyl-1H-pyrazole.
What is the SMILES notation for 5-ethenyl-1H-pyrazole?
The canonical SMILES for 5-ethenyl-1H-pyrazole is C=Cc1ccn[nH]1.
What is the InChIKey of 5-ethenyl-1H-pyrazole?
The InChIKey is YPIINMAYDTYYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2/c1-2-5-3-4-6-7-5/h2-4H,1H2,(H,6,7).
What are the key properties of 5-ethenyl-1H-pyrazole?
5-ethenyl-1H-pyrazole has a molecular weight of 94.12 g/mol, XLogP of 1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-1H-pyrazole is sourced from PubChem (CID 565051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).