1-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide

C12H11F3N4O — CID 64782151

IUPAC1-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
SMILESNCc1ccc(-n2cc(C(N)=O)cn2)cc1C(F)(F)F
InChIInChI=1S/C12H11F3N4O/c13-12(14,15)10-3-9(2-1-7(10)4-16)19-6-8(5-18-19)11(17)20/h1-3,5-6H,4,16H2,(H2,17,20)
InChIKeyJAUXYCGRYODPTN-UHFFFAOYSA-N
MW284.24 g/mol
LogP1.45
Rot. Bonds3

About 1-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide

1-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide (PubChem CID 64782151) has the molecular formula C12H11F3N4O and a molecular weight of 284.24 g/mol. Its IUPAC name is 1-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
PubChem CID64782151
Molecular FormulaC12H11F3N4O
Molecular Weight284.24 g/mol
Exact Mass284.09
IUPAC Name1-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
SMILESNCc1ccc(-n2cc(C(N)=O)cn2)cc1C(F)(F)F
InChIInChI=1S/C12H11F3N4O/c13-12(14,15)10-3-9(2-1-7(10)4-16)19-6-8(5-18-19)11(17)20/h1-3,5-6H,4,16H2,(H2,17,20)
InChIKeyJAUXYCGRYODPTN-UHFFFAOYSA-N
XLogP1.45
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The IUPAC name of 1-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide (CID 64782151) is 1-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide is NCc1ccc(-n2cc(C(N)=O)cn2)cc1C(F)(F)F.
What is the InChIKey of 1-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The InChIKey is JAUXYCGRYODPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4O/c13-12(14,15)10-3-9(2-1-7(10)4-16)19-6-8(5-18-19)11(17)20/h1-3,5-6H,4,16H2,(H2,17,20).
What are the key properties of 1-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
1-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide has a molecular weight of 284.24 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 64782151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).