4-[(Z)-but-2-en-2-yl]-1H-pyrazole

C7H10N2 — CID 89035116

IUPAC4-[(Z)-but-2-en-2-yl]-1H-pyrazole
SMILESC/C=C(/C)c1cn[nH]c1
InChIInChI=1S/C7H10N2/c1-3-6(2)7-4-8-9-5-7/h3-5H,1-2H3,(H,8,9)/b6-3-
InChIKeyQMWSTOIIQMWCJU-UTCJRWHESA-N
MW122.17 g/mol
LogP1.83
Rot. Bonds1

About 4-[(Z)-but-2-en-2-yl]-1H-pyrazole

4-[(Z)-but-2-en-2-yl]-1H-pyrazole (PubChem CID 89035116) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is 4-[(Z)-but-2-en-2-yl]-1H-pyrazole.

Molecular Properties

Compound Name4-[(Z)-but-2-en-2-yl]-1H-pyrazole
PubChem CID89035116
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name4-[(Z)-but-2-en-2-yl]-1H-pyrazole
SMILESC/C=C(/C)c1cn[nH]c1
InChIInChI=1S/C7H10N2/c1-3-6(2)7-4-8-9-5-7/h3-5H,1-2H3,(H,8,9)/b6-3-
InChIKeyQMWSTOIIQMWCJU-UTCJRWHESA-N
XLogP1.83
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-but-2-en-2-yl]-1H-pyrazole?
The IUPAC name of 4-[(Z)-but-2-en-2-yl]-1H-pyrazole (CID 89035116) is 4-[(Z)-but-2-en-2-yl]-1H-pyrazole.
What is the SMILES notation for 4-[(Z)-but-2-en-2-yl]-1H-pyrazole?
The canonical SMILES for 4-[(Z)-but-2-en-2-yl]-1H-pyrazole is C/C=C(/C)c1cn[nH]c1.
What is the InChIKey of 4-[(Z)-but-2-en-2-yl]-1H-pyrazole?
The InChIKey is QMWSTOIIQMWCJU-UTCJRWHESA-N. The full InChI is InChI=1S/C7H10N2/c1-3-6(2)7-4-8-9-5-7/h3-5H,1-2H3,(H,8,9)/b6-3-.
What are the key properties of 4-[(Z)-but-2-en-2-yl]-1H-pyrazole?
4-[(Z)-but-2-en-2-yl]-1H-pyrazole has a molecular weight of 122.17 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-but-2-en-2-yl]-1H-pyrazole is sourced from PubChem (CID 89035116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).