1-(2-phenylethenyl)pyrazole

C11H10N2 — CID 71346578

IUPAC1-(2-phenylethenyl)pyrazole
SMILESC(=Cn1cccn1)c1ccccc1
InChIInChI=1S/C11H10N2/c1-2-5-11(6-3-1)7-10-13-9-4-8-12-13/h1-10H
InChIKeyINVOCYBNCFNAMD-UHFFFAOYSA-N
MW170.22 g/mol
LogP2.51
Rot. Bonds2

About 1-(2-phenylethenyl)pyrazole

1-(2-phenylethenyl)pyrazole (PubChem CID 71346578) has the molecular formula C11H10N2 and a molecular weight of 170.22 g/mol. Its IUPAC name is 1-(2-phenylethenyl)pyrazole.

Molecular Properties

Compound Name1-(2-phenylethenyl)pyrazole
PubChem CID71346578
Molecular FormulaC11H10N2
Molecular Weight170.22 g/mol
Exact Mass170.08
IUPAC Name1-(2-phenylethenyl)pyrazole
SMILESC(=Cn1cccn1)c1ccccc1
InChIInChI=1S/C11H10N2/c1-2-5-11(6-3-1)7-10-13-9-4-8-12-13/h1-10H
InChIKeyINVOCYBNCFNAMD-UHFFFAOYSA-N
XLogP2.51
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.22
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1E)-3-phenylbuta-1,3-dienyl]pyrazole
CID 135060716
1-[(1E,3Z)-3-phenylpenta-1,3-dienyl]pyrazole
CID 135061835
1-[(E)-2-phenylethenyl]imidazole
CID 5374234
4-(2-phenylethenyl)-2,6-di(pyrazol-1-yl)pyridine
CID 123864479
1-[(E)-4-phenylbut-3-en-2-yl]pyrazole
CID 135042259
1-[2,6-bis[(E)-2-phenylethenyl]phenyl]pyrazole
CID 68934849
CID 70567885
CID 70567885
CID 70569152
CID 70569152
CID 154707954
CID 154707954
1-[(E)-2-phenylethenyl]azepane
CID 146169339
4-(2-phenylethenyl)pyridine;hydrochloride
CID 71352999
2-phenyl-1-(2-phenylethenyl)pyrrole
CID 141184632

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylethenyl)pyrazole?
The IUPAC name of 1-(2-phenylethenyl)pyrazole (CID 71346578) is 1-(2-phenylethenyl)pyrazole.
What is the SMILES notation for 1-(2-phenylethenyl)pyrazole?
The canonical SMILES for 1-(2-phenylethenyl)pyrazole is C(=Cn1cccn1)c1ccccc1.
What is the InChIKey of 1-(2-phenylethenyl)pyrazole?
The InChIKey is INVOCYBNCFNAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2/c1-2-5-11(6-3-1)7-10-13-9-4-8-12-13/h1-10H.
What are the key properties of 1-(2-phenylethenyl)pyrazole?
1-(2-phenylethenyl)pyrazole has a molecular weight of 170.22 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylethenyl)pyrazole is sourced from PubChem (CID 71346578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).