N-methyl-3-(2-methylpyrazol-3-yl)-1-[2-(trifluoromethyl)cyclohexyl]propan-1-amine

C15H24F3N3 — CID 103030661

IUPACN-methyl-3-(2-methylpyrazol-3-yl)-1-[2-(trifluoromethyl)cyclohexyl]propan-1-amine
SMILESCNC(CCc1ccnn1C)C1CCCCC1C(F)(F)F
InChIInChI=1S/C15H24F3N3/c1-19-14(8-7-11-9-10-20-21(11)2)12-5-3-4-6-13(12)15(16,17)18/h9-10,12-14,19H,3-8H2,1-2H3
InChIKeyCXNCGVMSLJIASH-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.31
Rot. Bonds5

About N-methyl-3-(2-methylpyrazol-3-yl)-1-[2-(trifluoromethyl)cyclohexyl]propan-1-amine

N-methyl-3-(2-methylpyrazol-3-yl)-1-[2-(trifluoromethyl)cyclohexyl]propan-1-amine (PubChem CID 103030661) has the molecular formula C15H24F3N3 and a molecular weight of 303.37 g/mol. Its IUPAC name is N-methyl-3-(2-methylpyrazol-3-yl)-1-[2-(trifluoromethyl)cyclohexyl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(2-methylpyrazol-3-yl)-1-[2-(trifluoromethyl)cyclohexyl]propan-1-amine
PubChem CID103030661
Molecular FormulaC15H24F3N3
Molecular Weight303.37 g/mol
Exact Mass303.19
IUPAC NameN-methyl-3-(2-methylpyrazol-3-yl)-1-[2-(trifluoromethyl)cyclohexyl]propan-1-amine
SMILESCNC(CCc1ccnn1C)C1CCCCC1C(F)(F)F
InChIInChI=1S/C15H24F3N3/c1-19-14(8-7-11-9-10-20-21(11)2)12-5-3-4-6-13(12)15(16,17)18/h9-10,12-14,19H,3-8H2,1-2H3
InChIKeyCXNCGVMSLJIASH-UHFFFAOYSA-N
XLogP3.31
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(2-methylpyrazol-3-yl)-1-[2-(trifluoromethyl)cyclohexyl]propan-1-amine?
The IUPAC name of N-methyl-3-(2-methylpyrazol-3-yl)-1-[2-(trifluoromethyl)cyclohexyl]propan-1-amine (CID 103030661) is N-methyl-3-(2-methylpyrazol-3-yl)-1-[2-(trifluoromethyl)cyclohexyl]propan-1-amine.
What is the SMILES notation for N-methyl-3-(2-methylpyrazol-3-yl)-1-[2-(trifluoromethyl)cyclohexyl]propan-1-amine?
The canonical SMILES for N-methyl-3-(2-methylpyrazol-3-yl)-1-[2-(trifluoromethyl)cyclohexyl]propan-1-amine is CNC(CCc1ccnn1C)C1CCCCC1C(F)(F)F.
What is the InChIKey of N-methyl-3-(2-methylpyrazol-3-yl)-1-[2-(trifluoromethyl)cyclohexyl]propan-1-amine?
The InChIKey is CXNCGVMSLJIASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F3N3/c1-19-14(8-7-11-9-10-20-21(11)2)12-5-3-4-6-13(12)15(16,17)18/h9-10,12-14,19H,3-8H2,1-2H3.
What are the key properties of N-methyl-3-(2-methylpyrazol-3-yl)-1-[2-(trifluoromethyl)cyclohexyl]propan-1-amine?
N-methyl-3-(2-methylpyrazol-3-yl)-1-[2-(trifluoromethyl)cyclohexyl]propan-1-amine has a molecular weight of 303.37 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(2-methylpyrazol-3-yl)-1-[2-(trifluoromethyl)cyclohexyl]propan-1-amine is sourced from PubChem (CID 103030661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).