5-amino-N-[2-(trifluoromethylsulfanyl)ethyl]-1H-pyrazole-4-carboxamide

C7H9F3N4OS — CID 106432190

IUPAC5-amino-N-[2-(trifluoromethylsulfanyl)ethyl]-1H-pyrazole-4-carboxamide
SMILESNc1[nH]ncc1C(=O)NCCSC(F)(F)F
InChIInChI=1S/C7H9F3N4OS/c8-7(9,10)16-2-1-12-6(15)4-3-13-14-5(4)11/h3H,1-2H2,(H,12,15)(H3,11,13,14)
InChIKeyCONOWMRHRDBXHD-UHFFFAOYSA-N
MW254.24 g/mol
LogP0.97
Rot. Bonds4

About 5-amino-N-[2-(trifluoromethylsulfanyl)ethyl]-1H-pyrazole-4-carboxamide

5-amino-N-[2-(trifluoromethylsulfanyl)ethyl]-1H-pyrazole-4-carboxamide (PubChem CID 106432190) has the molecular formula C7H9F3N4OS and a molecular weight of 254.24 g/mol. Its IUPAC name is 5-amino-N-[2-(trifluoromethylsulfanyl)ethyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-[2-(trifluoromethylsulfanyl)ethyl]-1H-pyrazole-4-carboxamide
PubChem CID106432190
Molecular FormulaC7H9F3N4OS
Molecular Weight254.24 g/mol
Exact Mass254.04
IUPAC Name5-amino-N-[2-(trifluoromethylsulfanyl)ethyl]-1H-pyrazole-4-carboxamide
SMILESNc1[nH]ncc1C(=O)NCCSC(F)(F)F
InChIInChI=1S/C7H9F3N4OS/c8-7(9,10)16-2-1-12-6(15)4-3-13-14-5(4)11/h3H,1-2H2,(H,12,15)(H3,11,13,14)
InChIKeyCONOWMRHRDBXHD-UHFFFAOYSA-N
XLogP0.97
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-amino-N-[2-(trifluoromethylsulfanyl)ethyl]-1H-pyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-N-(2-aminoethyl)-1H-pyrazole-4-carboxamide
CID 110484096
5-amino-N-(2-chloroethyl)-1H-pyrazole-4-carboxamide
CID 123588221
5-amino-N-(2-prop-2-ynylsulfanylethyl)-1H-pyrazole-4-carboxamide
CID 106432187
5-amino-N-(2,2,3,3-tetrafluoropropyl)-1H-pyrazole-4-carboxamide
CID 106295277
5-amino-N-(2-cyclopentylethyl)-1H-pyrazole-4-carboxamide
CID 60920304
4-amino-6-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-carboxamide
CID 114188312
5-amino-N-(2,2-dimethylpropyl)-1H-pyrazole-4-carboxamide
CID 61168270
5-amino-N-(2-cyclohexylethyl)-1H-pyrazole-4-carboxamide
CID 54932334
6-[(5-amino-1H-pyrazole-4-carbonyl)amino]hexanoic acid
CID 110484163
5-amino-N-[2-[di(propan-2-yl)amino]ethyl]-1H-pyrazole-4-carboxamide
CID 43159436
3,5-diamino-N-[2-(trifluoromethylsulfanyl)ethyl]benzamide
CID 113228248
5-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-1H-pyrazole-4-carboxamide
CID 79400745

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-(trifluoromethylsulfanyl)ethyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-amino-N-[2-(trifluoromethylsulfanyl)ethyl]-1H-pyrazole-4-carboxamide (CID 106432190) is 5-amino-N-[2-(trifluoromethylsulfanyl)ethyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-[2-(trifluoromethylsulfanyl)ethyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-N-[2-(trifluoromethylsulfanyl)ethyl]-1H-pyrazole-4-carboxamide is Nc1[nH]ncc1C(=O)NCCSC(F)(F)F.
What is the InChIKey of 5-amino-N-[2-(trifluoromethylsulfanyl)ethyl]-1H-pyrazole-4-carboxamide?
The InChIKey is CONOWMRHRDBXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N4OS/c8-7(9,10)16-2-1-12-6(15)4-3-13-14-5(4)11/h3H,1-2H2,(H,12,15)(H3,11,13,14).
What are the key properties of 5-amino-N-[2-(trifluoromethylsulfanyl)ethyl]-1H-pyrazole-4-carboxamide?
5-amino-N-[2-(trifluoromethylsulfanyl)ethyl]-1H-pyrazole-4-carboxamide has a molecular weight of 254.24 g/mol, XLogP of 0.97, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[2-(trifluoromethylsulfanyl)ethyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 106432190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).