benzyl formate;1H-pyrazole

C11H12N2O2 — CID 175258603

IUPACbenzyl formate;1H-pyrazole
SMILESO=COCc1ccccc1.c1cn[nH]c1
InChIInChI=1S/C8H8O2.C3H4N2/c9-7-10-6-8-4-2-1-3-5-8;1-2-4-5-3-1/h1-5,7H,6H2;1-3H,(H,4,5)
InChIKeyPIQGUBDGESPAFI-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.77
Rot. Bonds3

About benzyl formate;1H-pyrazole

benzyl formate;1H-pyrazole (PubChem CID 175258603) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is benzyl formate;1H-pyrazole.

Molecular Properties

Compound Namebenzyl formate;1H-pyrazole
PubChem CID175258603
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Namebenzyl formate;1H-pyrazole
SMILESO=COCc1ccccc1.c1cn[nH]c1
InChIInChI=1S/C8H8O2.C3H4N2/c9-7-10-6-8-4-2-1-3-5-8;1-2-4-5-3-1/h1-5,7H,6H2;1-3H,(H,4,5)
InChIKeyPIQGUBDGESPAFI-UHFFFAOYSA-N
XLogP1.77
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of benzyl formate;1H-pyrazole?
The IUPAC name of benzyl formate;1H-pyrazole (CID 175258603) is benzyl formate;1H-pyrazole.
What is the SMILES notation for benzyl formate;1H-pyrazole?
The canonical SMILES for benzyl formate;1H-pyrazole is O=COCc1ccccc1.c1cn[nH]c1.
What is the InChIKey of benzyl formate;1H-pyrazole?
The InChIKey is PIQGUBDGESPAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O2.C3H4N2/c9-7-10-6-8-4-2-1-3-5-8;1-2-4-5-3-1/h1-5,7H,6H2;1-3H,(H,4,5).
What are the key properties of benzyl formate;1H-pyrazole?
benzyl formate;1H-pyrazole has a molecular weight of 204.23 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl formate;1H-pyrazole is sourced from PubChem (CID 175258603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).