5-amino-3-(difluoromethyl)-1-phenylpyrazole-4-carbonitrile

C11H8F2N4 — CID 4047680

IUPAC5-amino-3-(difluoromethyl)-1-phenylpyrazole-4-carbonitrile
SMILESN#Cc1c(C(F)F)nn(-c2ccccc2)c1N
InChIInChI=1S/C11H8F2N4/c12-10(13)9-8(6-14)11(15)17(16-9)7-4-2-1-3-5-7/h1-5,10H,15H2
InChIKeyZBEVGROKESYGSL-UHFFFAOYSA-N
MW234.21 g/mol
LogP2.26
Rot. Bonds2

About 5-amino-3-(difluoromethyl)-1-phenylpyrazole-4-carbonitrile

5-amino-3-(difluoromethyl)-1-phenylpyrazole-4-carbonitrile (PubChem CID 4047680) has the molecular formula C11H8F2N4 and a molecular weight of 234.21 g/mol. Its IUPAC name is 5-amino-3-(difluoromethyl)-1-phenylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-3-(difluoromethyl)-1-phenylpyrazole-4-carbonitrile
PubChem CID4047680
Molecular FormulaC11H8F2N4
Molecular Weight234.21 g/mol
Exact Mass234.07
IUPAC Name5-amino-3-(difluoromethyl)-1-phenylpyrazole-4-carbonitrile
SMILESN#Cc1c(C(F)F)nn(-c2ccccc2)c1N
InChIInChI=1S/C11H8F2N4/c12-10(13)9-8(6-14)11(15)17(16-9)7-4-2-1-3-5-7/h1-5,10H,15H2
InChIKeyZBEVGROKESYGSL-UHFFFAOYSA-N
XLogP2.26
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(difluoromethyl)-1-phenylpyrazole-4-carbonitrile?
The IUPAC name of 5-amino-3-(difluoromethyl)-1-phenylpyrazole-4-carbonitrile (CID 4047680) is 5-amino-3-(difluoromethyl)-1-phenylpyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-3-(difluoromethyl)-1-phenylpyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-3-(difluoromethyl)-1-phenylpyrazole-4-carbonitrile is N#Cc1c(C(F)F)nn(-c2ccccc2)c1N.
What is the InChIKey of 5-amino-3-(difluoromethyl)-1-phenylpyrazole-4-carbonitrile?
The InChIKey is ZBEVGROKESYGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2N4/c12-10(13)9-8(6-14)11(15)17(16-9)7-4-2-1-3-5-7/h1-5,10H,15H2.
What are the key properties of 5-amino-3-(difluoromethyl)-1-phenylpyrazole-4-carbonitrile?
5-amino-3-(difluoromethyl)-1-phenylpyrazole-4-carbonitrile has a molecular weight of 234.21 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(difluoromethyl)-1-phenylpyrazole-4-carbonitrile is sourced from PubChem (CID 4047680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).