5-amino-1-[[2-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide

C12H11F3N4O — CID 90391420

IUPAC5-amino-1-[[2-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
SMILESNC(=O)c1cnn(Cc2ccccc2C(F)(F)F)c1N
InChIInChI=1S/C12H11F3N4O/c13-12(14,15)9-4-2-1-3-7(9)6-19-10(16)8(5-18-19)11(17)20/h1-5H,6,16H2,(H2,17,20)
InChIKeySJGNKZWSMQIMCR-UHFFFAOYSA-N
MW284.24 g/mol
LogP1.63
Rot. Bonds3

About 5-amino-1-[[2-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide

5-amino-1-[[2-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide (PubChem CID 90391420) has the molecular formula C12H11F3N4O and a molecular weight of 284.24 g/mol. Its IUPAC name is 5-amino-1-[[2-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-[[2-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
PubChem CID90391420
Molecular FormulaC12H11F3N4O
Molecular Weight284.24 g/mol
Exact Mass284.09
IUPAC Name5-amino-1-[[2-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
SMILESNC(=O)c1cnn(Cc2ccccc2C(F)(F)F)c1N
InChIInChI=1S/C12H11F3N4O/c13-12(14,15)9-4-2-1-3-7(9)6-19-10(16)8(5-18-19)11(17)20/h1-5H,6,16H2,(H2,17,20)
InChIKeySJGNKZWSMQIMCR-UHFFFAOYSA-N
XLogP1.63
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 ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-amino-1-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]acetic acid
CID 115069639
3-[[2-(trifluoromethyl)phenyl]methyl]triazol-4-amine
CID 150423324
5-amino-1-[(4-bromophenyl)methyl]pyrazole-4-carboxamide
CID 83240770
5-amino-1-[(3-methylphenyl)methyl]pyrazole-4-carboxamide
CID 83240421
6-[[2-(trifluoromethyl)phenyl]methylamino]pyridazine-3-carboxamide
CID 79109187
2-(4-aminopyrazol-1-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 62879757
1-[[2-(trifluoromethyl)phenyl]methyl]indazole-5-carbaldehyde
CID 140648853
5-amino-1-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid
CID 82365365
2,3-dioxo-1-[[2-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide
CID 129218352
1-[[2-(trifluoromethyl)phenyl]methyl]triazolo[4,5-c]pyridine
CID 117159476
2-[2-(trifluoromethyl)phenyl]acetyl bromide
CID 141376906
3-amino-1-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 169110325

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[[2-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide?
The IUPAC name of 5-amino-1-[[2-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide (CID 90391420) is 5-amino-1-[[2-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-[[2-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-1-[[2-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide is NC(=O)c1cnn(Cc2ccccc2C(F)(F)F)c1N.
What is the InChIKey of 5-amino-1-[[2-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide?
The InChIKey is SJGNKZWSMQIMCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4O/c13-12(14,15)9-4-2-1-3-7(9)6-19-10(16)8(5-18-19)11(17)20/h1-5H,6,16H2,(H2,17,20).
What are the key properties of 5-amino-1-[[2-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide?
5-amino-1-[[2-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide has a molecular weight of 284.24 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[[2-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 90391420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).