2-methyl-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]propan-1-amine

C8H12F3N3 — CID 83848435

IUPAC2-methyl-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]propan-1-amine
SMILESCC(C)C(N)c1cc(C(F)(F)F)n[nH]1
InChIInChI=1S/C8H12F3N3/c1-4(2)7(12)5-3-6(14-13-5)8(9,10)11/h3-4,7H,12H2,1-2H3,(H,13,14)
InChIKeyPNNSLGMHGRYKNX-UHFFFAOYSA-N
MW207.20 g/mol
LogP2.08
Rot. Bonds2

About 2-methyl-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]propan-1-amine

2-methyl-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]propan-1-amine (PubChem CID 83848435) has the molecular formula C8H12F3N3 and a molecular weight of 207.20 g/mol. Its IUPAC name is 2-methyl-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]propan-1-amine
PubChem CID83848435
Molecular FormulaC8H12F3N3
Molecular Weight207.20 g/mol
Exact Mass207.10
IUPAC Name2-methyl-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]propan-1-amine
SMILESCC(C)C(N)c1cc(C(F)(F)F)n[nH]1
InChIInChI=1S/C8H12F3N3/c1-4(2)7(12)5-3-6(14-13-5)8(9,10)11/h3-4,7H,12H2,1-2H3,(H,13,14)
InChIKeyPNNSLGMHGRYKNX-UHFFFAOYSA-N
XLogP2.08
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.20
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]propan-1-amine?
The IUPAC name of 2-methyl-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]propan-1-amine (CID 83848435) is 2-methyl-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]propan-1-amine.
What is the SMILES notation for 2-methyl-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]propan-1-amine?
The canonical SMILES for 2-methyl-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]propan-1-amine is CC(C)C(N)c1cc(C(F)(F)F)n[nH]1.
What is the InChIKey of 2-methyl-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]propan-1-amine?
The InChIKey is PNNSLGMHGRYKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3/c1-4(2)7(12)5-3-6(14-13-5)8(9,10)11/h3-4,7H,12H2,1-2H3,(H,13,14).
What are the key properties of 2-methyl-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]propan-1-amine?
2-methyl-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]propan-1-amine has a molecular weight of 207.20 g/mol, XLogP of 2.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]propan-1-amine is sourced from PubChem (CID 83848435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).