5-(trifluoromethyl)-1H-pyrazol-3-amine

C4H4F3N3 — CID 19623305

IUPAC5-(trifluoromethyl)-1H-pyrazol-3-amine
SMILESNc1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C4H4F3N3/c5-4(6,7)2-1-3(8)10-9-2/h1H,(H3,8,9,10)
InChIKeyWVORIWCOSAWJJE-UHFFFAOYSA-N
MW151.09 g/mol
LogP1.01
Rot. Bonds

About 5-(trifluoromethyl)-1H-pyrazol-3-amine

5-(trifluoromethyl)-1H-pyrazol-3-amine (PubChem CID 19623305) has the molecular formula C4H4F3N3 and a molecular weight of 151.09 g/mol. Its IUPAC name is 5-(trifluoromethyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(trifluoromethyl)-1H-pyrazol-3-amine
PubChem CID19623305
Molecular FormulaC4H4F3N3
Molecular Weight151.09 g/mol
Exact Mass151.04
IUPAC Name5-(trifluoromethyl)-1H-pyrazol-3-amine
SMILESNc1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C4H4F3N3/c5-4(6,7)2-1-3(8)10-9-2/h1H,(H3,8,9,10)
InChIKeyWVORIWCOSAWJJE-UHFFFAOYSA-N
XLogP1.01
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.09
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(trifluoromethyl)-1H-pyrazol-3-amine (CID 19623305) is 5-(trifluoromethyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(trifluoromethyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(trifluoromethyl)-1H-pyrazol-3-amine is Nc1cc(C(F)(F)F)[nH]n1.
What is the InChIKey of 5-(trifluoromethyl)-1H-pyrazol-3-amine?
The InChIKey is WVORIWCOSAWJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F3N3/c5-4(6,7)2-1-3(8)10-9-2/h1H,(H3,8,9,10).
What are the key properties of 5-(trifluoromethyl)-1H-pyrazol-3-amine?
5-(trifluoromethyl)-1H-pyrazol-3-amine has a molecular weight of 151.09 g/mol, XLogP of 1.01, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 19623305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).