3-pyridin-2-yl-5-(trifluoromethyl)-1H-pyrazol-4-amine

C9H7F3N4 — CID 168654962

IUPAC3-pyridin-2-yl-5-(trifluoromethyl)-1H-pyrazol-4-amine
SMILESNc1c(-c2ccccn2)n[nH]c1C(F)(F)F
InChIInChI=1S/C9H7F3N4/c10-9(11,12)8-6(13)7(15-16-8)5-3-1-2-4-14-5/h1-4H,13H2,(H,15,16)
InChIKeyZZTAQVGUGQBRRH-UHFFFAOYSA-N
MW228.18 g/mol
LogP2.07
Rot. Bonds1

About 3-pyridin-2-yl-5-(trifluoromethyl)-1H-pyrazol-4-amine

3-pyridin-2-yl-5-(trifluoromethyl)-1H-pyrazol-4-amine (PubChem CID 168654962) has the molecular formula C9H7F3N4 and a molecular weight of 228.18 g/mol. Its IUPAC name is 3-pyridin-2-yl-5-(trifluoromethyl)-1H-pyrazol-4-amine.

Molecular Properties

Compound Name3-pyridin-2-yl-5-(trifluoromethyl)-1H-pyrazol-4-amine
PubChem CID168654962
Molecular FormulaC9H7F3N4
Molecular Weight228.18 g/mol
Exact Mass228.06
IUPAC Name3-pyridin-2-yl-5-(trifluoromethyl)-1H-pyrazol-4-amine
SMILESNc1c(-c2ccccn2)n[nH]c1C(F)(F)F
InChIInChI=1S/C9H7F3N4/c10-9(11,12)8-6(13)7(15-16-8)5-3-1-2-4-14-5/h1-4H,13H2,(H,15,16)
InChIKeyZZTAQVGUGQBRRH-UHFFFAOYSA-N
XLogP2.07
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.18
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-pyridin-2-yl-5-(trifluoromethyl)-1H-pyrazol-4-amine?
The IUPAC name of 3-pyridin-2-yl-5-(trifluoromethyl)-1H-pyrazol-4-amine (CID 168654962) is 3-pyridin-2-yl-5-(trifluoromethyl)-1H-pyrazol-4-amine.
What is the SMILES notation for 3-pyridin-2-yl-5-(trifluoromethyl)-1H-pyrazol-4-amine?
The canonical SMILES for 3-pyridin-2-yl-5-(trifluoromethyl)-1H-pyrazol-4-amine is Nc1c(-c2ccccn2)n[nH]c1C(F)(F)F.
What is the InChIKey of 3-pyridin-2-yl-5-(trifluoromethyl)-1H-pyrazol-4-amine?
The InChIKey is ZZTAQVGUGQBRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N4/c10-9(11,12)8-6(13)7(15-16-8)5-3-1-2-4-14-5/h1-4H,13H2,(H,15,16).
What are the key properties of 3-pyridin-2-yl-5-(trifluoromethyl)-1H-pyrazol-4-amine?
3-pyridin-2-yl-5-(trifluoromethyl)-1H-pyrazol-4-amine has a molecular weight of 228.18 g/mol, XLogP of 2.07, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-2-yl-5-(trifluoromethyl)-1H-pyrazol-4-amine is sourced from PubChem (CID 168654962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).