N-methyl-3-(1-methylpyrazol-4-yl)-1-[4-(trifluoromethyl)cyclohexyl]propan-1-amine

C15H24F3N3 — CID 103030167

IUPACN-methyl-3-(1-methylpyrazol-4-yl)-1-[4-(trifluoromethyl)cyclohexyl]propan-1-amine
SMILESCNC(CCc1cnn(C)c1)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C15H24F3N3/c1-19-14(8-3-11-9-20-21(2)10-11)12-4-6-13(7-5-12)15(16,17)18/h9-10,12-14,19H,3-8H2,1-2H3
InChIKeyHQYSLAKWUXLTCV-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.31
Rot. Bonds5

About N-methyl-3-(1-methylpyrazol-4-yl)-1-[4-(trifluoromethyl)cyclohexyl]propan-1-amine

N-methyl-3-(1-methylpyrazol-4-yl)-1-[4-(trifluoromethyl)cyclohexyl]propan-1-amine (PubChem CID 103030167) has the molecular formula C15H24F3N3 and a molecular weight of 303.37 g/mol. Its IUPAC name is N-methyl-3-(1-methylpyrazol-4-yl)-1-[4-(trifluoromethyl)cyclohexyl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(1-methylpyrazol-4-yl)-1-[4-(trifluoromethyl)cyclohexyl]propan-1-amine
PubChem CID103030167
Molecular FormulaC15H24F3N3
Molecular Weight303.37 g/mol
Exact Mass303.19
IUPAC NameN-methyl-3-(1-methylpyrazol-4-yl)-1-[4-(trifluoromethyl)cyclohexyl]propan-1-amine
SMILESCNC(CCc1cnn(C)c1)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C15H24F3N3/c1-19-14(8-3-11-9-20-21(2)10-11)12-4-6-13(7-5-12)15(16,17)18/h9-10,12-14,19H,3-8H2,1-2H3
InChIKeyHQYSLAKWUXLTCV-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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Related Compounds

1-cyclopropyl-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 63354994
N-methyl-3-(1-methylpyrazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]propan-1-amine
CID 103029967
N-methyl-3-(1-methylpyrazol-4-yl)-1-(4-propan-2-ylcyclohexyl)propan-1-amine
CID 103010653
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103029639
[1-cycloheptyl-3-(1-methylpyrazol-4-yl)propyl]hydrazine
CID 103025788
1-(4-tert-butylcyclohexyl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 65403165
N-methyl-1-(3-methylcyclohexyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103009708
1-(1,1-dioxothiolan-3-yl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103011871
3-(1-methylpyrazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]propan-1-amine
CID 103030057
1-cyclooctyl-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 80602955
4-(3-bromo-3-cyclopropylpropyl)-1-methylpyrazole
CID 63358314
1-(1,4-dimethylpiperazin-2-yl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103011331

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(1-methylpyrazol-4-yl)-1-[4-(trifluoromethyl)cyclohexyl]propan-1-amine?
The IUPAC name of N-methyl-3-(1-methylpyrazol-4-yl)-1-[4-(trifluoromethyl)cyclohexyl]propan-1-amine (CID 103030167) is N-methyl-3-(1-methylpyrazol-4-yl)-1-[4-(trifluoromethyl)cyclohexyl]propan-1-amine.
What is the SMILES notation for N-methyl-3-(1-methylpyrazol-4-yl)-1-[4-(trifluoromethyl)cyclohexyl]propan-1-amine?
The canonical SMILES for N-methyl-3-(1-methylpyrazol-4-yl)-1-[4-(trifluoromethyl)cyclohexyl]propan-1-amine is CNC(CCc1cnn(C)c1)C1CCC(C(F)(F)F)CC1.
What is the InChIKey of N-methyl-3-(1-methylpyrazol-4-yl)-1-[4-(trifluoromethyl)cyclohexyl]propan-1-amine?
The InChIKey is HQYSLAKWUXLTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F3N3/c1-19-14(8-3-11-9-20-21(2)10-11)12-4-6-13(7-5-12)15(16,17)18/h9-10,12-14,19H,3-8H2,1-2H3.
What are the key properties of N-methyl-3-(1-methylpyrazol-4-yl)-1-[4-(trifluoromethyl)cyclohexyl]propan-1-amine?
N-methyl-3-(1-methylpyrazol-4-yl)-1-[4-(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-(1-methylpyrazol-4-yl)-1-[4-(trifluoromethyl)cyclohexyl]propan-1-amine is sourced from PubChem (CID 103030167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).