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

C4H4F3N3 — CID 23569312

IUPAC4-(trifluoromethyl)-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1C(F)(F)F
InChIInChI=1S/C4H4F3N3/c5-4(6,7)2-1-9-10-3(2)8/h1H,(H3,8,9,10)
InChIKeyKBVOILKOLGWPBG-UHFFFAOYSA-N
MW151.09 g/mol
LogP1.01
Rot. Bonds

About 4-(trifluoromethyl)-1H-pyrazol-5-amine

4-(trifluoromethyl)-1H-pyrazol-5-amine (PubChem CID 23569312) has the molecular formula C4H4F3N3 and a molecular weight of 151.09 g/mol. Its IUPAC name is 4-(trifluoromethyl)-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-(trifluoromethyl)-1H-pyrazol-5-amine
PubChem CID23569312
Molecular FormulaC4H4F3N3
Molecular Weight151.09 g/mol
Exact Mass151.04
IUPAC Name4-(trifluoromethyl)-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1C(F)(F)F
InChIInChI=1S/C4H4F3N3/c5-4(6,7)2-1-9-10-3(2)8/h1H,(H3,8,9,10)
InChIKeyKBVOILKOLGWPBG-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 4-(trifluoromethyl)-1H-pyrazol-5-amine?
The IUPAC name of 4-(trifluoromethyl)-1H-pyrazol-5-amine (CID 23569312) is 4-(trifluoromethyl)-1H-pyrazol-5-amine.
What is the SMILES notation for 4-(trifluoromethyl)-1H-pyrazol-5-amine?
The canonical SMILES for 4-(trifluoromethyl)-1H-pyrazol-5-amine is Nc1[nH]ncc1C(F)(F)F.
What is the InChIKey of 4-(trifluoromethyl)-1H-pyrazol-5-amine?
The InChIKey is KBVOILKOLGWPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F3N3/c5-4(6,7)2-1-9-10-3(2)8/h1H,(H3,8,9,10).
What are the key properties of 4-(trifluoromethyl)-1H-pyrazol-5-amine?
4-(trifluoromethyl)-1H-pyrazol-5-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 4-(trifluoromethyl)-1H-pyrazol-5-amine is sourced from PubChem (CID 23569312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).