3,5-bis[(E)-prop-1-enyl]-1H-pyrazole

C9H12N2 — CID 59028467

IUPAC3,5-bis[(E)-prop-1-enyl]-1H-pyrazole
SMILESC/C=C/c1cc(/C=C/C)[nH]n1
InChIInChI=1S/C9H12N2/c1-3-5-8-7-9(6-4-2)11-10-8/h3-7H,1-2H3,(H,10,11)/b5-3+,6-4+
InChIKeyPVFPXKJDSPJBNB-GGWOSOGESA-N
MW148.21 g/mol
LogP2.48
Rot. Bonds2

About 3,5-bis[(E)-prop-1-enyl]-1H-pyrazole

3,5-bis[(E)-prop-1-enyl]-1H-pyrazole (PubChem CID 59028467) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 3,5-bis[(E)-prop-1-enyl]-1H-pyrazole.

Molecular Properties

Compound Name3,5-bis[(E)-prop-1-enyl]-1H-pyrazole
PubChem CID59028467
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name3,5-bis[(E)-prop-1-enyl]-1H-pyrazole
SMILESC/C=C/c1cc(/C=C/C)[nH]n1
InChIInChI=1S/C9H12N2/c1-3-5-8-7-9(6-4-2)11-10-8/h3-7H,1-2H3,(H,10,11)/b5-3+,6-4+
InChIKeyPVFPXKJDSPJBNB-GGWOSOGESA-N
XLogP2.48
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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 3,5-bis[(E)-prop-1-enyl]-1H-pyrazole?
The IUPAC name of 3,5-bis[(E)-prop-1-enyl]-1H-pyrazole (CID 59028467) is 3,5-bis[(E)-prop-1-enyl]-1H-pyrazole.
What is the SMILES notation for 3,5-bis[(E)-prop-1-enyl]-1H-pyrazole?
The canonical SMILES for 3,5-bis[(E)-prop-1-enyl]-1H-pyrazole is C/C=C/c1cc(/C=C/C)[nH]n1.
What is the InChIKey of 3,5-bis[(E)-prop-1-enyl]-1H-pyrazole?
The InChIKey is PVFPXKJDSPJBNB-GGWOSOGESA-N. The full InChI is InChI=1S/C9H12N2/c1-3-5-8-7-9(6-4-2)11-10-8/h3-7H,1-2H3,(H,10,11)/b5-3+,6-4+.
What are the key properties of 3,5-bis[(E)-prop-1-enyl]-1H-pyrazole?
3,5-bis[(E)-prop-1-enyl]-1H-pyrazole has a molecular weight of 148.21 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis[(E)-prop-1-enyl]-1H-pyrazole is sourced from PubChem (CID 59028467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).