N-methyl-1-(1-propylpyrazol-4-yl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine

C15H24F3N3 — CID 105104088

IUPACN-methyl-1-(1-propylpyrazol-4-yl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine
SMILESCCCn1cc(C(NC)C2CCC(C(F)(F)F)CC2)cn1
InChIInChI=1S/C15H24F3N3/c1-3-8-21-10-12(9-20-21)14(19-2)11-4-6-13(7-5-11)15(16,17)18/h9-11,13-14,19H,3-8H2,1-2H3
InChIKeyKWYDSNHGBINJAU-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.92
Rot. Bonds5

About N-methyl-1-(1-propylpyrazol-4-yl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine

N-methyl-1-(1-propylpyrazol-4-yl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine (PubChem CID 105104088) has the molecular formula C15H24F3N3 and a molecular weight of 303.37 g/mol. Its IUPAC name is N-methyl-1-(1-propylpyrazol-4-yl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-(1-propylpyrazol-4-yl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine
PubChem CID105104088
Molecular FormulaC15H24F3N3
Molecular Weight303.37 g/mol
Exact Mass303.19
IUPAC NameN-methyl-1-(1-propylpyrazol-4-yl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine
SMILESCCCn1cc(C(NC)C2CCC(C(F)(F)F)CC2)cn1
InChIInChI=1S/C15H24F3N3/c1-3-8-21-10-12(9-20-21)14(19-2)11-4-6-13(7-5-11)15(16,17)18/h9-11,13-14,19H,3-8H2,1-2H3
InChIKeyKWYDSNHGBINJAU-UHFFFAOYSA-N
XLogP3.92
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 ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclooctyl-N-methyl-1-(1-propylpyrazol-4-yl)methanamine
CID 80603467
[(4-propylcyclohexyl)-(1-propylpyrazol-4-yl)methyl]hydrazine
CID 105232223
N-methyl-1-(2-propylpyrazol-3-yl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105148223
1-(1-ethylpyrazol-4-yl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine
CID 65423611
1-cyclopropyl-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 43485930
N-methyl-1-(2-methylpyrazol-3-yl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105148778
[(1-ethylpyrazol-4-yl)-(4-propylcyclohexyl)methyl]hydrazine
CID 105232222
(1-propylpyrazol-4-yl)-[2-(trifluoromethyl)cyclohexyl]methanamine
CID 105103841
N-methyl-1-thiophen-3-yl-1-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105154131
N-[(1-ethylpyrazol-4-yl)-[3-(trifluoromethyl)cyclohexyl]methyl]ethanamine
CID 105109287
2-cyclopentyl-N-ethyl-1-(1-propylpyrazol-4-yl)ethanamine
CID 115807398
[1-(1-propylpyrazol-4-yl)-2-(thian-4-yl)ethyl]hydrazine
CID 105288638

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-propylpyrazol-4-yl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine?
The IUPAC name of N-methyl-1-(1-propylpyrazol-4-yl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine (CID 105104088) is N-methyl-1-(1-propylpyrazol-4-yl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine.
What is the SMILES notation for N-methyl-1-(1-propylpyrazol-4-yl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine?
The canonical SMILES for N-methyl-1-(1-propylpyrazol-4-yl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine is CCCn1cc(C(NC)C2CCC(C(F)(F)F)CC2)cn1.
What is the InChIKey of N-methyl-1-(1-propylpyrazol-4-yl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine?
The InChIKey is KWYDSNHGBINJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F3N3/c1-3-8-21-10-12(9-20-21)14(19-2)11-4-6-13(7-5-11)15(16,17)18/h9-11,13-14,19H,3-8H2,1-2H3.
What are the key properties of N-methyl-1-(1-propylpyrazol-4-yl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine?
N-methyl-1-(1-propylpyrazol-4-yl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine has a molecular weight of 303.37 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-propylpyrazol-4-yl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine is sourced from PubChem (CID 105104088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).