1-[5-ethyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-N-methylmethanamine

C8H12F3N3 — CID 121213254

IUPAC1-[5-ethyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-N-methylmethanamine
SMILESCCc1[nH]nc(C(F)(F)F)c1CNC
InChIInChI=1S/C8H12F3N3/c1-3-6-5(4-12-2)7(14-13-6)8(9,10)11/h12H,3-4H2,1-2H3,(H,13,14)
InChIKeyIKMRWNCSWSNVCL-UHFFFAOYSA-N
MW207.20 g/mol
LogP1.71
Rot. Bonds3

About 1-[5-ethyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-N-methylmethanamine

1-[5-ethyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-N-methylmethanamine (PubChem CID 121213254) has the molecular formula C8H12F3N3 and a molecular weight of 207.20 g/mol. Its IUPAC name is 1-[5-ethyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-ethyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-N-methylmethanamine
PubChem CID121213254
Molecular FormulaC8H12F3N3
Molecular Weight207.20 g/mol
Exact Mass207.10
IUPAC Name1-[5-ethyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-N-methylmethanamine
SMILESCCc1[nH]nc(C(F)(F)F)c1CNC
InChIInChI=1S/C8H12F3N3/c1-3-6-5(4-12-2)7(14-13-6)8(9,10)11/h12H,3-4H2,1-2H3,(H,13,14)
InChIKeyIKMRWNCSWSNVCL-UHFFFAOYSA-N
XLogP1.71
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.20
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[5-ethyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-ethyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-N-methylmethanamine (CID 121213254) is 1-[5-ethyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-ethyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-ethyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-N-methylmethanamine is CCc1[nH]nc(C(F)(F)F)c1CNC.
What is the InChIKey of 1-[5-ethyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-N-methylmethanamine?
The InChIKey is IKMRWNCSWSNVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3/c1-3-6-5(4-12-2)7(14-13-6)8(9,10)11/h12H,3-4H2,1-2H3,(H,13,14).
What are the key properties of 1-[5-ethyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-N-methylmethanamine?
1-[5-ethyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-N-methylmethanamine has a molecular weight of 207.20 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-ethyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 121213254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).