5-prop-1-en-2-yl-1H-pyrazole

C6H8N2 — CID 11105329

IUPAC5-prop-1-en-2-yl-1H-pyrazole
SMILESC=C(C)c1ccn[nH]1
InChIInChI=1S/C6H8N2/c1-5(2)6-3-4-7-8-6/h3-4H,1H2,2H3,(H,7,8)
InChIKeyWEKFGWBINHBQFW-UHFFFAOYSA-N
MW108.14 g/mol
LogP1.44
Rot. Bonds1

About 5-prop-1-en-2-yl-1H-pyrazole

5-prop-1-en-2-yl-1H-pyrazole (PubChem CID 11105329) has the molecular formula C6H8N2 and a molecular weight of 108.14 g/mol. Its IUPAC name is 5-prop-1-en-2-yl-1H-pyrazole.

Molecular Properties

Compound Name5-prop-1-en-2-yl-1H-pyrazole
PubChem CID11105329
Molecular FormulaC6H8N2
Molecular Weight108.14 g/mol
Exact Mass108.07
IUPAC Name5-prop-1-en-2-yl-1H-pyrazole
SMILESC=C(C)c1ccn[nH]1
InChIInChI=1S/C6H8N2/c1-5(2)6-3-4-7-8-6/h3-4H,1H2,2H3,(H,7,8)
InChIKeyWEKFGWBINHBQFW-UHFFFAOYSA-N
XLogP1.44
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.14
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-prop-1-en-2-yl-1H-pyrazole?
The IUPAC name of 5-prop-1-en-2-yl-1H-pyrazole (CID 11105329) is 5-prop-1-en-2-yl-1H-pyrazole.
What is the SMILES notation for 5-prop-1-en-2-yl-1H-pyrazole?
The canonical SMILES for 5-prop-1-en-2-yl-1H-pyrazole is C=C(C)c1ccn[nH]1.
What is the InChIKey of 5-prop-1-en-2-yl-1H-pyrazole?
The InChIKey is WEKFGWBINHBQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2/c1-5(2)6-3-4-7-8-6/h3-4H,1H2,2H3,(H,7,8).
What are the key properties of 5-prop-1-en-2-yl-1H-pyrazole?
5-prop-1-en-2-yl-1H-pyrazole has a molecular weight of 108.14 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-prop-1-en-2-yl-1H-pyrazole is sourced from PubChem (CID 11105329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).