5-(2-methyl-5-phenylfuran-3-yl)-1H-pyrazole

C14H12N2O — CID 2742187

IUPAC5-(2-methyl-5-phenylfuran-3-yl)-1H-pyrazole
SMILESCc1oc(-c2ccccc2)cc1-c1ccn[nH]1
InChIInChI=1S/C14H12N2O/c1-10-12(13-7-8-15-16-13)9-14(17-10)11-5-3-2-4-6-11/h2-9H,1H3,(H,15,16)
InChIKeyHMAPMFCUJRLZBL-UHFFFAOYSA-N
MW224.26 g/mol
LogP3.65
Rot. Bonds2

About 5-(2-methyl-5-phenylfuran-3-yl)-1H-pyrazole

5-(2-methyl-5-phenylfuran-3-yl)-1H-pyrazole (PubChem CID 2742187) has the molecular formula C14H12N2O and a molecular weight of 224.26 g/mol. Its IUPAC name is 5-(2-methyl-5-phenylfuran-3-yl)-1H-pyrazole.

Molecular Properties

Compound Name5-(2-methyl-5-phenylfuran-3-yl)-1H-pyrazole
PubChem CID2742187
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
Exact Mass224.09
IUPAC Name5-(2-methyl-5-phenylfuran-3-yl)-1H-pyrazole
SMILESCc1oc(-c2ccccc2)cc1-c1ccn[nH]1
InChIInChI=1S/C14H12N2O/c1-10-12(13-7-8-15-16-13)9-14(17-10)11-5-3-2-4-6-11/h2-9H,1H3,(H,15,16)
InChIKeyHMAPMFCUJRLZBL-UHFFFAOYSA-N
XLogP3.65
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methyl-5-phenylfuran-3-yl)-1H-pyrazole?
The IUPAC name of 5-(2-methyl-5-phenylfuran-3-yl)-1H-pyrazole (CID 2742187) is 5-(2-methyl-5-phenylfuran-3-yl)-1H-pyrazole.
What is the SMILES notation for 5-(2-methyl-5-phenylfuran-3-yl)-1H-pyrazole?
The canonical SMILES for 5-(2-methyl-5-phenylfuran-3-yl)-1H-pyrazole is Cc1oc(-c2ccccc2)cc1-c1ccn[nH]1.
What is the InChIKey of 5-(2-methyl-5-phenylfuran-3-yl)-1H-pyrazole?
The InChIKey is HMAPMFCUJRLZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O/c1-10-12(13-7-8-15-16-13)9-14(17-10)11-5-3-2-4-6-11/h2-9H,1H3,(H,15,16).
What are the key properties of 5-(2-methyl-5-phenylfuran-3-yl)-1H-pyrazole?
5-(2-methyl-5-phenylfuran-3-yl)-1H-pyrazole has a molecular weight of 224.26 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methyl-5-phenylfuran-3-yl)-1H-pyrazole is sourced from PubChem (CID 2742187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).