5-[(Z)-but-1-enyl]-4-ethenyl-1H-pyrazole

C9H12N2 — CID 167231357

IUPAC5-[(Z)-but-1-enyl]-4-ethenyl-1H-pyrazole
SMILESC=Cc1cn[nH]c1/C=C\CC
InChIInChI=1S/C9H12N2/c1-3-5-6-9-8(4-2)7-10-11-9/h4-7H,2-3H2,1H3,(H,10,11)/b6-5-
InChIKeyHEXDEDALQIMGDD-WAYWQWQTSA-N
MW148.21 g/mol
LogP2.48
Rot. Bonds3

About 5-[(Z)-but-1-enyl]-4-ethenyl-1H-pyrazole

5-[(Z)-but-1-enyl]-4-ethenyl-1H-pyrazole (PubChem CID 167231357) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 5-[(Z)-but-1-enyl]-4-ethenyl-1H-pyrazole.

Molecular Properties

Compound Name5-[(Z)-but-1-enyl]-4-ethenyl-1H-pyrazole
PubChem CID167231357
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name5-[(Z)-but-1-enyl]-4-ethenyl-1H-pyrazole
SMILESC=Cc1cn[nH]c1/C=C\CC
InChIInChI=1S/C9H12N2/c1-3-5-6-9-8(4-2)7-10-11-9/h4-7H,2-3H2,1H3,(H,10,11)/b6-5-
InChIKeyHEXDEDALQIMGDD-WAYWQWQTSA-N
XLogP2.48
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-but-1-enyl]-4-ethenyl-1H-pyrazole?
The IUPAC name of 5-[(Z)-but-1-enyl]-4-ethenyl-1H-pyrazole (CID 167231357) is 5-[(Z)-but-1-enyl]-4-ethenyl-1H-pyrazole.
What is the SMILES notation for 5-[(Z)-but-1-enyl]-4-ethenyl-1H-pyrazole?
The canonical SMILES for 5-[(Z)-but-1-enyl]-4-ethenyl-1H-pyrazole is C=Cc1cn[nH]c1/C=C\CC.
What is the InChIKey of 5-[(Z)-but-1-enyl]-4-ethenyl-1H-pyrazole?
The InChIKey is HEXDEDALQIMGDD-WAYWQWQTSA-N. The full InChI is InChI=1S/C9H12N2/c1-3-5-6-9-8(4-2)7-10-11-9/h4-7H,2-3H2,1H3,(H,10,11)/b6-5-.
What are the key properties of 5-[(Z)-but-1-enyl]-4-ethenyl-1H-pyrazole?
5-[(Z)-but-1-enyl]-4-ethenyl-1H-pyrazole has a molecular weight of 148.21 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-but-1-enyl]-4-ethenyl-1H-pyrazole is sourced from PubChem (CID 167231357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).