N-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-amine

C6H8F3N3 — CID 130723896

IUPACN-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-amine
SMILESCNc1ccn(CC(F)(F)F)n1
InChIInChI=1S/C6H8F3N3/c1-10-5-2-3-12(11-5)4-6(7,8)9/h2-3H,4H2,1H3,(H,10,11)
InChIKeyZPTMTFRKVZWGRD-UHFFFAOYSA-N
MW179.15 g/mol
LogP1.49
Rot. Bonds2

About N-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-amine

N-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-amine (PubChem CID 130723896) has the molecular formula C6H8F3N3 and a molecular weight of 179.15 g/mol. Its IUPAC name is N-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-amine.

Molecular Properties

Compound NameN-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-amine
PubChem CID130723896
Molecular FormulaC6H8F3N3
Molecular Weight179.15 g/mol
Exact Mass179.07
IUPAC NameN-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-amine
SMILESCNc1ccn(CC(F)(F)F)n1
InChIInChI=1S/C6H8F3N3/c1-10-5-2-3-12(11-5)4-6(7,8)9/h2-3H,4H2,1H3,(H,10,11)
InChIKeyZPTMTFRKVZWGRD-UHFFFAOYSA-N
XLogP1.49
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.15
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-amine?
The IUPAC name of N-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-amine (CID 130723896) is N-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-amine.
What is the SMILES notation for N-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-amine?
The canonical SMILES for N-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-amine is CNc1ccn(CC(F)(F)F)n1.
What is the InChIKey of N-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-amine?
The InChIKey is ZPTMTFRKVZWGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3/c1-10-5-2-3-12(11-5)4-6(7,8)9/h2-3H,4H2,1H3,(H,10,11).
What are the key properties of N-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-amine?
N-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-amine has a molecular weight of 179.15 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-amine is sourced from PubChem (CID 130723896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).