5-amino-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide

C12H11F3N4O — CID 43337163

IUPAC5-amino-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide
SMILESNc1[nH]ncc1C(=O)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H11F3N4O/c13-12(14,15)8-3-1-2-7(4-8)5-17-11(20)9-6-18-19-10(9)16/h1-4,6H,5H2,(H,17,20)(H3,16,18,19)
InChIKeyUYAQEXLAHCADJG-UHFFFAOYSA-N
MW284.24 g/mol
LogP1.94
Rot. Bonds3

About 5-amino-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide

5-amino-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide (PubChem CID 43337163) has the molecular formula C12H11F3N4O and a molecular weight of 284.24 g/mol. Its IUPAC name is 5-amino-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide
PubChem CID43337163
Molecular FormulaC12H11F3N4O
Molecular Weight284.24 g/mol
Exact Mass284.09
IUPAC Name5-amino-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide
SMILESNc1[nH]ncc1C(=O)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H11F3N4O/c13-12(14,15)8-3-1-2-7(4-8)5-17-11(20)9-6-18-19-10(9)16/h1-4,6H,5H2,(H,17,20)(H3,16,18,19)
InChIKeyUYAQEXLAHCADJG-UHFFFAOYSA-N
XLogP1.94
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 115330327
2-amino-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 16769465
2-sulfanylidene-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carboxamide
CID 43046537
2,4,5-trimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 100712114
2-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 26241577
1-methyl-5-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]pyrazole-4-carboxylic acid
CID 29095638
3-(trifluoromethyl)-N-[[3-[[[3-(trifluoromethyl)benzoyl]amino]methyl]phenyl]methyl]benzamide
CID 4076220
N-[(4-methyl-1H-pyrazol-5-yl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 155953936
6-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 43397681
5-amino-N-(2,2,3,3-tetrafluoropropyl)-1H-pyrazole-4-carboxamide
CID 106295277
5-(3-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide
CID 71824448
5-(3-aminophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 117087550

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-amino-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide (CID 43337163) is 5-amino-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide is Nc1[nH]ncc1C(=O)NCc1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-amino-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide?
The InChIKey is UYAQEXLAHCADJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4O/c13-12(14,15)8-3-1-2-7(4-8)5-17-11(20)9-6-18-19-10(9)16/h1-4,6H,5H2,(H,17,20)(H3,16,18,19).
What are the key properties of 5-amino-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide?
5-amino-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide has a molecular weight of 284.24 g/mol, XLogP of 1.94, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 43337163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).