N-methyl-3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]prop-2-en-1-amine

C9H12F3N3 — CID 169473905

IUPACN-methyl-3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]prop-2-en-1-amine
SMILESCNCC=Cc1c(C(F)(F)F)n[nH]c1C
InChIInChI=1S/C9H12F3N3/c1-6-7(4-3-5-13-2)8(15-14-6)9(10,11)12/h3-4,13H,5H2,1-2H3,(H,14,15)
InChIKeyHXXYLPBDBDIZLM-UHFFFAOYSA-N
MW219.21 g/mol
LogP1.97
Rot. Bonds3

About N-methyl-3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]prop-2-en-1-amine

N-methyl-3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]prop-2-en-1-amine (PubChem CID 169473905) has the molecular formula C9H12F3N3 and a molecular weight of 219.21 g/mol. Its IUPAC name is N-methyl-3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-methyl-3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]prop-2-en-1-amine
PubChem CID169473905
Molecular FormulaC9H12F3N3
Molecular Weight219.21 g/mol
Exact Mass219.10
IUPAC NameN-methyl-3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]prop-2-en-1-amine
SMILESCNCC=Cc1c(C(F)(F)F)n[nH]c1C
InChIInChI=1S/C9H12F3N3/c1-6-7(4-3-5-13-2)8(15-14-6)9(10,11)12/h3-4,13H,5H2,1-2H3,(H,14,15)
InChIKeyHXXYLPBDBDIZLM-UHFFFAOYSA-N
XLogP1.97
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]prop-2-en-1-amine?
The IUPAC name of N-methyl-3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]prop-2-en-1-amine (CID 169473905) is N-methyl-3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]prop-2-en-1-amine.
What is the SMILES notation for N-methyl-3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]prop-2-en-1-amine?
The canonical SMILES for N-methyl-3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]prop-2-en-1-amine is CNCC=Cc1c(C(F)(F)F)n[nH]c1C.
What is the InChIKey of N-methyl-3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]prop-2-en-1-amine?
The InChIKey is HXXYLPBDBDIZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3/c1-6-7(4-3-5-13-2)8(15-14-6)9(10,11)12/h3-4,13H,5H2,1-2H3,(H,14,15).
What are the key properties of N-methyl-3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]prop-2-en-1-amine?
N-methyl-3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]prop-2-en-1-amine has a molecular weight of 219.21 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]prop-2-en-1-amine is sourced from PubChem (CID 169473905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).