4-(2,2,2-trifluoroethyl)-1H-pyrazol-5-amine

C5H6F3N3 — CID 21066085

IUPAC4-(2,2,2-trifluoroethyl)-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1CC(F)(F)F
InChIInChI=1S/C5H6F3N3/c6-5(7,8)1-3-2-10-11-4(3)9/h2H,1H2,(H3,9,10,11)
InChIKeyOBFOIIFNHWYKBU-UHFFFAOYSA-N
MW165.12 g/mol
LogP1.10
Rot. Bonds1

About 4-(2,2,2-trifluoroethyl)-1H-pyrazol-5-amine

4-(2,2,2-trifluoroethyl)-1H-pyrazol-5-amine (PubChem CID 21066085) has the molecular formula C5H6F3N3 and a molecular weight of 165.12 g/mol. Its IUPAC name is 4-(2,2,2-trifluoroethyl)-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-(2,2,2-trifluoroethyl)-1H-pyrazol-5-amine
PubChem CID21066085
Molecular FormulaC5H6F3N3
Molecular Weight165.12 g/mol
Exact Mass165.05
IUPAC Name4-(2,2,2-trifluoroethyl)-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1CC(F)(F)F
InChIInChI=1S/C5H6F3N3/c6-5(7,8)1-3-2-10-11-4(3)9/h2H,1H2,(H3,9,10,11)
InChIKeyOBFOIIFNHWYKBU-UHFFFAOYSA-N
XLogP1.10
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.12
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-Methyl-1H-pyrazol-3-amine
CID 12383043
4-Ethyl-1H-pyrazol-3-amine
CID 11789157
4-Isopropyl-1H-pyrazol-3-amine
CID 19002201
4-(trifluoromethyl)-1H-pyrazol-3-amine
CID 23569312
4-(2,2,2-trifluoroethyl)-1H-pyrazole
CID 91351724
4-(1,1-difluoroethyl)-1H-pyrazole
CID 105427656
4-(2-methylpropyl)-1H-pyrazol-5-amine
CID 61647149
4-(difluoromethyl)-1H-pyrazol-5-amine
CID 67485578
4-(Trifluoromethyl)-1H-pyrazol-3-amine hydrochloride
CID 86346391
4-(1,1,2,2,2-pentafluoroethyl)-1H-pyrazole
CID 87299095
2,2,2-trifluoro-1-(1H-pyrazol-4-yl)ethan-1-amine
CID 118212236
4-(2-fluoroethyl)-1H-pyrazole
CID 123383309

Frequently Asked Questions

What is the IUPAC name of 4-(2,2,2-trifluoroethyl)-1H-pyrazol-5-amine?
The IUPAC name of 4-(2,2,2-trifluoroethyl)-1H-pyrazol-5-amine (CID 21066085) is 4-(2,2,2-trifluoroethyl)-1H-pyrazol-5-amine.
What is the SMILES notation for 4-(2,2,2-trifluoroethyl)-1H-pyrazol-5-amine?
The canonical SMILES for 4-(2,2,2-trifluoroethyl)-1H-pyrazol-5-amine is Nc1[nH]ncc1CC(F)(F)F.
What is the InChIKey of 4-(2,2,2-trifluoroethyl)-1H-pyrazol-5-amine?
The InChIKey is OBFOIIFNHWYKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3N3/c6-5(7,8)1-3-2-10-11-4(3)9/h2H,1H2,(H3,9,10,11).
What are the key properties of 4-(2,2,2-trifluoroethyl)-1H-pyrazol-5-amine?
4-(2,2,2-trifluoroethyl)-1H-pyrazol-5-amine has a molecular weight of 165.12 g/mol, XLogP of 1.10, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,2-trifluoroethyl)-1H-pyrazol-5-amine is sourced from PubChem (CID 21066085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).