N-(trifluoromethyl)-1H-pyrazol-5-amine

C4H4F3N3 — CID 90024811

IUPACN-(trifluoromethyl)-1H-pyrazol-5-amine
SMILESFC(F)(F)Nc1ccn[nH]1
InChIInChI=1S/C4H4F3N3/c5-4(6,7)9-3-1-2-8-10-3/h1-2H,(H2,8,9,10)
InChIKeyQNGFDKCVUYIOQU-UHFFFAOYSA-N
MW151.09 g/mol
LogP1.34
Rot. Bonds1

About N-(trifluoromethyl)-1H-pyrazol-5-amine

N-(trifluoromethyl)-1H-pyrazol-5-amine (PubChem CID 90024811) has the molecular formula C4H4F3N3 and a molecular weight of 151.09 g/mol. Its IUPAC name is N-(trifluoromethyl)-1H-pyrazol-5-amine.

Molecular Properties

Compound NameN-(trifluoromethyl)-1H-pyrazol-5-amine
PubChem CID90024811
Molecular FormulaC4H4F3N3
Molecular Weight151.09 g/mol
Exact Mass151.04
IUPAC NameN-(trifluoromethyl)-1H-pyrazol-5-amine
SMILESFC(F)(F)Nc1ccn[nH]1
InChIInChI=1S/C4H4F3N3/c5-4(6,7)9-3-1-2-8-10-3/h1-2H,(H2,8,9,10)
InChIKeyQNGFDKCVUYIOQU-UHFFFAOYSA-N
XLogP1.34
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.09
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(trifluoromethyl)-1H-pyrazol-5-amine?
The IUPAC name of N-(trifluoromethyl)-1H-pyrazol-5-amine (CID 90024811) is N-(trifluoromethyl)-1H-pyrazol-5-amine.
What is the SMILES notation for N-(trifluoromethyl)-1H-pyrazol-5-amine?
The canonical SMILES for N-(trifluoromethyl)-1H-pyrazol-5-amine is FC(F)(F)Nc1ccn[nH]1.
What is the InChIKey of N-(trifluoromethyl)-1H-pyrazol-5-amine?
The InChIKey is QNGFDKCVUYIOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F3N3/c5-4(6,7)9-3-1-2-8-10-3/h1-2H,(H2,8,9,10).
What are the key properties of N-(trifluoromethyl)-1H-pyrazol-5-amine?
N-(trifluoromethyl)-1H-pyrazol-5-amine has a molecular weight of 151.09 g/mol, XLogP of 1.34, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(trifluoromethyl)-1H-pyrazol-5-amine is sourced from PubChem (CID 90024811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).