N-(1,2,2-trifluoroethyl)-1H-pyrazol-4-amine

C5H6F3N3 — CID 175573093

IUPACN-(1,2,2-trifluoroethyl)-1H-pyrazol-4-amine
SMILESFC(F)C(F)Nc1cn[nH]c1
InChIInChI=1S/C5H6F3N3/c6-4(7)5(8)11-3-1-9-10-2-3/h1-2,4-5,11H,(H,9,10)
InChIKeyQXDNPRFUPFTIQP-UHFFFAOYSA-N
MW165.12 g/mol
LogP1.38
Rot. Bonds3

About N-(1,2,2-trifluoroethyl)-1H-pyrazol-4-amine

N-(1,2,2-trifluoroethyl)-1H-pyrazol-4-amine (PubChem CID 175573093) has the molecular formula C5H6F3N3 and a molecular weight of 165.12 g/mol. Its IUPAC name is N-(1,2,2-trifluoroethyl)-1H-pyrazol-4-amine.

Molecular Properties

Compound NameN-(1,2,2-trifluoroethyl)-1H-pyrazol-4-amine
PubChem CID175573093
Molecular FormulaC5H6F3N3
Molecular Weight165.12 g/mol
Exact Mass165.05
IUPAC NameN-(1,2,2-trifluoroethyl)-1H-pyrazol-4-amine
SMILESFC(F)C(F)Nc1cn[nH]c1
InChIInChI=1S/C5H6F3N3/c6-4(7)5(8)11-3-1-9-10-2-3/h1-2,4-5,11H,(H,9,10)
InChIKeyQXDNPRFUPFTIQP-UHFFFAOYSA-N
XLogP1.38
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.12
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze N-(1,2,2-trifluoroethyl)-1H-pyrazol-4-amine 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

1H-pyrazol-4-amine
CID 78035
Pyrazole, 4-amino-, hydrochloride
CID 78034
Pyrazole, 4-(diethylamino)-
CID 206680
N-Methyl-1H-pyrazol-4-amine
CID 206693
N,N-Dimethyl-1H-pyrazol-4-amine
CID 13450484
N-cyclopentyl-1H-pyrazol-4-amine
CID 43540098
3-fluoro-1H-pyrazol-4-amine
CID 45116615
N-methyl-1H-pyrazol-4-amine dihydrochloride
CID 73994675
1-(1H-pyrazol-4-yl)piperazine dihydrochloride
CID 137971666
1-(1H-Pyrazol-4-yl)piperazine
CID 61675946
N-(2,2,2-trifluoroethyl)-1H-pyrazol-4-amine
CID 132087676
N-(2,2-difluoroethyl)-1H-pyrazol-4-amine
CID 132109890

Frequently Asked Questions

What is the IUPAC name of N-(1,2,2-trifluoroethyl)-1H-pyrazol-4-amine?
The IUPAC name of N-(1,2,2-trifluoroethyl)-1H-pyrazol-4-amine (CID 175573093) is N-(1,2,2-trifluoroethyl)-1H-pyrazol-4-amine.
What is the SMILES notation for N-(1,2,2-trifluoroethyl)-1H-pyrazol-4-amine?
The canonical SMILES for N-(1,2,2-trifluoroethyl)-1H-pyrazol-4-amine is FC(F)C(F)Nc1cn[nH]c1.
What is the InChIKey of N-(1,2,2-trifluoroethyl)-1H-pyrazol-4-amine?
The InChIKey is QXDNPRFUPFTIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3N3/c6-4(7)5(8)11-3-1-9-10-2-3/h1-2,4-5,11H,(H,9,10).
What are the key properties of N-(1,2,2-trifluoroethyl)-1H-pyrazol-4-amine?
N-(1,2,2-trifluoroethyl)-1H-pyrazol-4-amine has a molecular weight of 165.12 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,2-trifluoroethyl)-1H-pyrazol-4-amine is sourced from PubChem (CID 175573093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).