1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-1-[3-(trifluoromethyl)cyclohexyl]methanamine

C14H21BrF3N3 — CID 105182978

IUPAC1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-1-[3-(trifluoromethyl)cyclohexyl]methanamine
SMILESCCn1ncc(Br)c1C(NC)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H21BrF3N3/c1-3-21-13(11(15)8-20-21)12(19-2)9-5-4-6-10(7-9)14(16,17)18/h8-10,12,19H,3-7H2,1-2H3
InChIKeyCINWBFUWOQKXPY-UHFFFAOYSA-N
MW368.24 g/mol
LogP4.29
Rot. Bonds4

About 1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-1-[3-(trifluoromethyl)cyclohexyl]methanamine

1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-1-[3-(trifluoromethyl)cyclohexyl]methanamine (PubChem CID 105182978) has the molecular formula C14H21BrF3N3 and a molecular weight of 368.24 g/mol. Its IUPAC name is 1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-1-[3-(trifluoromethyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-1-[3-(trifluoromethyl)cyclohexyl]methanamine
PubChem CID105182978
Molecular FormulaC14H21BrF3N3
Molecular Weight368.24 g/mol
Exact Mass367.09
IUPAC Name1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-1-[3-(trifluoromethyl)cyclohexyl]methanamine
SMILESCCn1ncc(Br)c1C(NC)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H21BrF3N3/c1-3-21-13(11(15)8-20-21)12(19-2)9-5-4-6-10(7-9)14(16,17)18/h8-10,12,19H,3-7H2,1-2H3
InChIKeyCINWBFUWOQKXPY-UHFFFAOYSA-N
XLogP4.29
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.24
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-1-[3-(trifluoromethyl)cyclohexyl]methanamine?
The IUPAC name of 1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-1-[3-(trifluoromethyl)cyclohexyl]methanamine (CID 105182978) is 1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-1-[3-(trifluoromethyl)cyclohexyl]methanamine.
What is the SMILES notation for 1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-1-[3-(trifluoromethyl)cyclohexyl]methanamine?
The canonical SMILES for 1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-1-[3-(trifluoromethyl)cyclohexyl]methanamine is CCn1ncc(Br)c1C(NC)C1CCCC(C(F)(F)F)C1.
What is the InChIKey of 1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-1-[3-(trifluoromethyl)cyclohexyl]methanamine?
The InChIKey is CINWBFUWOQKXPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrF3N3/c1-3-21-13(11(15)8-20-21)12(19-2)9-5-4-6-10(7-9)14(16,17)18/h8-10,12,19H,3-7H2,1-2H3.
What are the key properties of 1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-1-[3-(trifluoromethyl)cyclohexyl]methanamine?
1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-1-[3-(trifluoromethyl)cyclohexyl]methanamine has a molecular weight of 368.24 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-1-[3-(trifluoromethyl)cyclohexyl]methanamine is sourced from PubChem (CID 105182978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).