5-propa-1,2-dienyl-1H-pyrazole

C6H6N2 — CID 176540034

IUPAC5-propa-1,2-dienyl-1H-pyrazole
SMILESC=C=Cc1ccn[nH]1
InChIInChI=1S/C6H6N2/c1-2-3-6-4-5-7-8-6/h3-5H,1H2,(H,7,8)
InChIKeySHTXEXVHXNIDMR-UHFFFAOYSA-N
MW106.13 g/mol
LogP1.21
Rot. Bonds1

About 5-propa-1,2-dienyl-1H-pyrazole

5-propa-1,2-dienyl-1H-pyrazole (PubChem CID 176540034) has the molecular formula C6H6N2 and a molecular weight of 106.13 g/mol. Its IUPAC name is 5-propa-1,2-dienyl-1H-pyrazole.

Molecular Properties

Compound Name5-propa-1,2-dienyl-1H-pyrazole
PubChem CID176540034
Molecular FormulaC6H6N2
Molecular Weight106.13 g/mol
Exact Mass106.05
IUPAC Name5-propa-1,2-dienyl-1H-pyrazole
SMILESC=C=Cc1ccn[nH]1
InChIInChI=1S/C6H6N2/c1-2-3-6-4-5-7-8-6/h3-5H,1H2,(H,7,8)
InChIKeySHTXEXVHXNIDMR-UHFFFAOYSA-N
XLogP1.21
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.13
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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5-[(Z)-4-methyl-3-methylidene-2-propan-2-ylpent-1-enyl]-1H-pyrazole
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(E)-N-prop-2-ynoxy-1-(1H-pyrazol-5-yl)methanimine
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5-[2-(2-fluorophenyl)ethenyl]-1H-pyrazole
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5-(2-thiophen-3-ylethenyl)-1H-pyrazole
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5-(2-naphthalen-2-ylethenyl)-1H-pyrazole
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5-[(Z)-2-naphthalen-2-ylethenyl]-1H-pyrazole
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1H-pyrazole-5-carbaldehyde;pyridin-2-amine
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CID 150638923
CID 150638923

Frequently Asked Questions

What is the IUPAC name of 5-propa-1,2-dienyl-1H-pyrazole?
The IUPAC name of 5-propa-1,2-dienyl-1H-pyrazole (CID 176540034) is 5-propa-1,2-dienyl-1H-pyrazole.
What is the SMILES notation for 5-propa-1,2-dienyl-1H-pyrazole?
The canonical SMILES for 5-propa-1,2-dienyl-1H-pyrazole is C=C=Cc1ccn[nH]1.
What is the InChIKey of 5-propa-1,2-dienyl-1H-pyrazole?
The InChIKey is SHTXEXVHXNIDMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2/c1-2-3-6-4-5-7-8-6/h3-5H,1H2,(H,7,8).
What are the key properties of 5-propa-1,2-dienyl-1H-pyrazole?
5-propa-1,2-dienyl-1H-pyrazole has a molecular weight of 106.13 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propa-1,2-dienyl-1H-pyrazole is sourced from PubChem (CID 176540034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).