4-(3-aminopyrazol-1-yl)-2-(trifluoromethyl)benzamide

C11H9F3N4O — CID 61175658

IUPAC4-(3-aminopyrazol-1-yl)-2-(trifluoromethyl)benzamide
SMILESNC(=O)c1ccc(-n2ccc(N)n2)cc1C(F)(F)F
InChIInChI=1S/C11H9F3N4O/c12-11(13,14)8-5-6(1-2-7(8)10(16)19)18-4-3-9(15)17-18/h1-5H,(H2,15,17)(H2,16,19)
InChIKeyGBGJSQBCQYZBTI-UHFFFAOYSA-N
MW270.21 g/mol
LogP1.57
Rot. Bonds2

About 4-(3-aminopyrazol-1-yl)-2-(trifluoromethyl)benzamide

4-(3-aminopyrazol-1-yl)-2-(trifluoromethyl)benzamide (PubChem CID 61175658) has the molecular formula C11H9F3N4O and a molecular weight of 270.21 g/mol. Its IUPAC name is 4-(3-aminopyrazol-1-yl)-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-(3-aminopyrazol-1-yl)-2-(trifluoromethyl)benzamide
PubChem CID61175658
Molecular FormulaC11H9F3N4O
Molecular Weight270.21 g/mol
Exact Mass270.07
IUPAC Name4-(3-aminopyrazol-1-yl)-2-(trifluoromethyl)benzamide
SMILESNC(=O)c1ccc(-n2ccc(N)n2)cc1C(F)(F)F
InChIInChI=1S/C11H9F3N4O/c12-11(13,14)8-5-6(1-2-7(8)10(16)19)18-4-3-9(15)17-18/h1-5H,(H2,15,17)(H2,16,19)
InChIKeyGBGJSQBCQYZBTI-UHFFFAOYSA-N
XLogP1.57
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.21
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopyrazol-1-yl)-2-(trifluoromethyl)benzamide?
The IUPAC name of 4-(3-aminopyrazol-1-yl)-2-(trifluoromethyl)benzamide (CID 61175658) is 4-(3-aminopyrazol-1-yl)-2-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-(3-aminopyrazol-1-yl)-2-(trifluoromethyl)benzamide?
The canonical SMILES for 4-(3-aminopyrazol-1-yl)-2-(trifluoromethyl)benzamide is NC(=O)c1ccc(-n2ccc(N)n2)cc1C(F)(F)F.
What is the InChIKey of 4-(3-aminopyrazol-1-yl)-2-(trifluoromethyl)benzamide?
The InChIKey is GBGJSQBCQYZBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N4O/c12-11(13,14)8-5-6(1-2-7(8)10(16)19)18-4-3-9(15)17-18/h1-5H,(H2,15,17)(H2,16,19).
What are the key properties of 4-(3-aminopyrazol-1-yl)-2-(trifluoromethyl)benzamide?
4-(3-aminopyrazol-1-yl)-2-(trifluoromethyl)benzamide has a molecular weight of 270.21 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopyrazol-1-yl)-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 61175658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).