1-(3-phenylprop-2-enoxy)pyrazole

C12H12N2O — CID 126807494

IUPAC1-(3-phenylprop-2-enoxy)pyrazole
SMILESC(=Cc1ccccc1)COn1cccn1
InChIInChI=1S/C12H12N2O/c1-2-6-12(7-3-1)8-4-11-15-14-10-5-9-13-14/h1-10H,11H2
InChIKeyBXXOZNXXUTXZRN-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.03
Rot. Bonds4

About 1-(3-phenylprop-2-enoxy)pyrazole

1-(3-phenylprop-2-enoxy)pyrazole (PubChem CID 126807494) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 1-(3-phenylprop-2-enoxy)pyrazole.

Molecular Properties

Compound Name1-(3-phenylprop-2-enoxy)pyrazole
PubChem CID126807494
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name1-(3-phenylprop-2-enoxy)pyrazole
SMILESC(=Cc1ccccc1)COn1cccn1
InChIInChI=1S/C12H12N2O/c1-2-6-12(7-3-1)8-4-11-15-14-10-5-9-13-14/h1-10H,11H2
InChIKeyBXXOZNXXUTXZRN-UHFFFAOYSA-N
XLogP2.03
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-phenylprop-2-enoxy)pyrazole?
The IUPAC name of 1-(3-phenylprop-2-enoxy)pyrazole (CID 126807494) is 1-(3-phenylprop-2-enoxy)pyrazole.
What is the SMILES notation for 1-(3-phenylprop-2-enoxy)pyrazole?
The canonical SMILES for 1-(3-phenylprop-2-enoxy)pyrazole is C(=Cc1ccccc1)COn1cccn1.
What is the InChIKey of 1-(3-phenylprop-2-enoxy)pyrazole?
The InChIKey is BXXOZNXXUTXZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c1-2-6-12(7-3-1)8-4-11-15-14-10-5-9-13-14/h1-10H,11H2.
What are the key properties of 1-(3-phenylprop-2-enoxy)pyrazole?
1-(3-phenylprop-2-enoxy)pyrazole has a molecular weight of 200.24 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylprop-2-enoxy)pyrazole is sourced from PubChem (CID 126807494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).