N-(aminomethylidene)-4-[1-(difluoromethyl)pyrazol-4-yl]benzamide

C12H10F2N4O — CID 142559149

IUPACN-(aminomethylidene)-4-[1-(difluoromethyl)pyrazol-4-yl]benzamide
SMILESN/C=N/C(=O)c1ccc(-c2cnn(C(F)F)c2)cc1
InChIInChI=1S/C12H10F2N4O/c13-12(14)18-6-10(5-17-18)8-1-3-9(4-2-8)11(19)16-7-15/h1-7,12H,(H2,15,16,19)
InChIKeyOFDKYLGOVUVOAG-UHFFFAOYSA-N
MW264.24 g/mol
LogP2.07
Rot. Bonds3

About N-(aminomethylidene)-4-[1-(difluoromethyl)pyrazol-4-yl]benzamide

N-(aminomethylidene)-4-[1-(difluoromethyl)pyrazol-4-yl]benzamide (PubChem CID 142559149) has the molecular formula C12H10F2N4O and a molecular weight of 264.24 g/mol. Its IUPAC name is N-(aminomethylidene)-4-[1-(difluoromethyl)pyrazol-4-yl]benzamide.

Molecular Properties

Compound NameN-(aminomethylidene)-4-[1-(difluoromethyl)pyrazol-4-yl]benzamide
PubChem CID142559149
Molecular FormulaC12H10F2N4O
Molecular Weight264.24 g/mol
Exact Mass264.08
IUPAC NameN-(aminomethylidene)-4-[1-(difluoromethyl)pyrazol-4-yl]benzamide
SMILESN/C=N/C(=O)c1ccc(-c2cnn(C(F)F)c2)cc1
InChIInChI=1S/C12H10F2N4O/c13-12(14)18-6-10(5-17-18)8-1-3-9(4-2-8)11(19)16-7-15/h1-7,12H,(H2,15,16,19)
InChIKeyOFDKYLGOVUVOAG-UHFFFAOYSA-N
XLogP2.07
TPSA73.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(aminomethylidene)-4-[1-(difluoromethyl)pyrazol-4-yl]benzamide?
The IUPAC name of N-(aminomethylidene)-4-[1-(difluoromethyl)pyrazol-4-yl]benzamide (CID 142559149) is N-(aminomethylidene)-4-[1-(difluoromethyl)pyrazol-4-yl]benzamide.
What is the SMILES notation for N-(aminomethylidene)-4-[1-(difluoromethyl)pyrazol-4-yl]benzamide?
The canonical SMILES for N-(aminomethylidene)-4-[1-(difluoromethyl)pyrazol-4-yl]benzamide is N/C=N/C(=O)c1ccc(-c2cnn(C(F)F)c2)cc1.
What is the InChIKey of N-(aminomethylidene)-4-[1-(difluoromethyl)pyrazol-4-yl]benzamide?
The InChIKey is OFDKYLGOVUVOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N4O/c13-12(14)18-6-10(5-17-18)8-1-3-9(4-2-8)11(19)16-7-15/h1-7,12H,(H2,15,16,19).
What are the key properties of N-(aminomethylidene)-4-[1-(difluoromethyl)pyrazol-4-yl]benzamide?
N-(aminomethylidene)-4-[1-(difluoromethyl)pyrazol-4-yl]benzamide has a molecular weight of 264.24 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(aminomethylidene)-4-[1-(difluoromethyl)pyrazol-4-yl]benzamide is sourced from PubChem (CID 142559149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).