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

C9H14F3N3 — CID 105477120

IUPACN-methyl-1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]propan-2-amine
SMILESCNC(C)Cc1cc(C(F)(F)F)n(C)n1
InChIInChI=1S/C9H14F3N3/c1-6(13-2)4-7-5-8(9(10,11)12)15(3)14-7/h5-6,13H,4H2,1-3H3
InChIKeyMPOUXKWZKSHMHN-UHFFFAOYSA-N
MW221.23 g/mol
LogP1.59
Rot. Bonds3

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

N-methyl-1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]propan-2-amine (PubChem CID 105477120) has the molecular formula C9H14F3N3 and a molecular weight of 221.23 g/mol. Its IUPAC name is N-methyl-1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]propan-2-amine.

Molecular Properties

Compound NameN-methyl-1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]propan-2-amine
PubChem CID105477120
Molecular FormulaC9H14F3N3
Molecular Weight221.23 g/mol
Exact Mass221.11
IUPAC NameN-methyl-1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]propan-2-amine
SMILESCNC(C)Cc1cc(C(F)(F)F)n(C)n1
InChIInChI=1S/C9H14F3N3/c1-6(13-2)4-7-5-8(9(10,11)12)15(3)14-7/h5-6,13H,4H2,1-3H3
InChIKeyMPOUXKWZKSHMHN-UHFFFAOYSA-N
XLogP1.59
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]propan-2-amine?
The IUPAC name of N-methyl-1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]propan-2-amine (CID 105477120) is N-methyl-1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]propan-2-amine.
What is the SMILES notation for N-methyl-1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]propan-2-amine?
The canonical SMILES for N-methyl-1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]propan-2-amine is CNC(C)Cc1cc(C(F)(F)F)n(C)n1.
What is the InChIKey of N-methyl-1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]propan-2-amine?
The InChIKey is MPOUXKWZKSHMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3/c1-6(13-2)4-7-5-8(9(10,11)12)15(3)14-7/h5-6,13H,4H2,1-3H3.
What are the key properties of N-methyl-1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]propan-2-amine?
N-methyl-1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]propan-2-amine has a molecular weight of 221.23 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]propan-2-amine is sourced from PubChem (CID 105477120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).