3-(furan-2-yl)-1-phenylpyrazole-4-carbonitrile

C14H9N3O — CID 977044

IUPAC3-(furan-2-yl)-1-phenylpyrazole-4-carbonitrile
SMILESN#Cc1cn(-c2ccccc2)nc1-c1ccco1
InChIInChI=1S/C14H9N3O/c15-9-11-10-17(12-5-2-1-3-6-12)16-14(11)13-7-4-8-18-13/h1-8,10H
InChIKeyIYSNAVFYDNLVGJ-UHFFFAOYSA-N
MW235.25 g/mol
LogP3.00
Rot. Bonds2

About 3-(furan-2-yl)-1-phenylpyrazole-4-carbonitrile

3-(furan-2-yl)-1-phenylpyrazole-4-carbonitrile (PubChem CID 977044) has the molecular formula C14H9N3O and a molecular weight of 235.25 g/mol. Its IUPAC name is 3-(furan-2-yl)-1-phenylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name3-(furan-2-yl)-1-phenylpyrazole-4-carbonitrile
PubChem CID977044
Molecular FormulaC14H9N3O
Molecular Weight235.25 g/mol
Exact Mass235.07
IUPAC Name3-(furan-2-yl)-1-phenylpyrazole-4-carbonitrile
SMILESN#Cc1cn(-c2ccccc2)nc1-c1ccco1
InChIInChI=1S/C14H9N3O/c15-9-11-10-17(12-5-2-1-3-6-12)16-14(11)13-7-4-8-18-13/h1-8,10H
InChIKeyIYSNAVFYDNLVGJ-UHFFFAOYSA-N
XLogP3.00
TPSA54.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-1-phenylpyrazole-4-carbonitrile?
The IUPAC name of 3-(furan-2-yl)-1-phenylpyrazole-4-carbonitrile (CID 977044) is 3-(furan-2-yl)-1-phenylpyrazole-4-carbonitrile.
What is the SMILES notation for 3-(furan-2-yl)-1-phenylpyrazole-4-carbonitrile?
The canonical SMILES for 3-(furan-2-yl)-1-phenylpyrazole-4-carbonitrile is N#Cc1cn(-c2ccccc2)nc1-c1ccco1.
What is the InChIKey of 3-(furan-2-yl)-1-phenylpyrazole-4-carbonitrile?
The InChIKey is IYSNAVFYDNLVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3O/c15-9-11-10-17(12-5-2-1-3-6-12)16-14(11)13-7-4-8-18-13/h1-8,10H.
What are the key properties of 3-(furan-2-yl)-1-phenylpyrazole-4-carbonitrile?
3-(furan-2-yl)-1-phenylpyrazole-4-carbonitrile has a molecular weight of 235.25 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-1-phenylpyrazole-4-carbonitrile is sourced from PubChem (CID 977044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).