N-[(4-bromo-1-methylpyrazol-5-yl)-[2-(trifluoromethyl)cyclohexyl]methyl]ethanamine

C14H21BrF3N3 — CID 105189747

IUPACN-[(4-bromo-1-methylpyrazol-5-yl)-[2-(trifluoromethyl)cyclohexyl]methyl]ethanamine
SMILESCCNC(c1c(Br)cnn1C)C1CCCCC1C(F)(F)F
InChIInChI=1S/C14H21BrF3N3/c1-3-19-12(13-11(15)8-20-21(13)2)9-6-4-5-7-10(9)14(16,17)18/h8-10,12,19H,3-7H2,1-2H3
InChIKeyPHTMLPDWANWQCE-UHFFFAOYSA-N
MW368.24 g/mol
LogP4.20
Rot. Bonds4

About N-[(4-bromo-1-methylpyrazol-5-yl)-[2-(trifluoromethyl)cyclohexyl]methyl]ethanamine

N-[(4-bromo-1-methylpyrazol-5-yl)-[2-(trifluoromethyl)cyclohexyl]methyl]ethanamine (PubChem CID 105189747) has the molecular formula C14H21BrF3N3 and a molecular weight of 368.24 g/mol. Its IUPAC name is N-[(4-bromo-1-methylpyrazol-5-yl)-[2-(trifluoromethyl)cyclohexyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-bromo-1-methylpyrazol-5-yl)-[2-(trifluoromethyl)cyclohexyl]methyl]ethanamine
PubChem CID105189747
Molecular FormulaC14H21BrF3N3
Molecular Weight368.24 g/mol
Exact Mass367.09
IUPAC NameN-[(4-bromo-1-methylpyrazol-5-yl)-[2-(trifluoromethyl)cyclohexyl]methyl]ethanamine
SMILESCCNC(c1c(Br)cnn1C)C1CCCCC1C(F)(F)F
InChIInChI=1S/C14H21BrF3N3/c1-3-19-12(13-11(15)8-20-21(13)2)9-6-4-5-7-10(9)14(16,17)18/h8-10,12,19H,3-7H2,1-2H3
InChIKeyPHTMLPDWANWQCE-UHFFFAOYSA-N
XLogP4.20
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 ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-bromo-1-methylpyrazol-5-yl)-(thian-2-yl)methyl]ethanamine
CID 114658946
N-[(4-bromo-1-methylpyrazol-5-yl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanamine
CID 114660219
N-[(1-methylimidazol-2-yl)-[2-(trifluoromethyl)cyclohexyl]methyl]ethanamine
CID 105149558
N-[(4-bromo-1-methylpyrazol-5-yl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine
CID 105054339
N-[(6-methyl-3-pyridinyl)-[2-(trifluoromethyl)cyclohexyl]methyl]ethanamine
CID 105146207
N-[(4-bromo-1-methylpyrazol-5-yl)-(5,6-dimethyl-1,4-dithian-2-yl)methyl]ethanamine
CID 103346236
1-(4-bromo-1-methylpyrazol-5-yl)-1-N,2-diethyl-2-N,2-N-dimethylbutane-1,2-diamine
CID 114656911
N-[(4-bromo-1-methylpyrazol-5-yl)-(4-methylcyclohexyl)methyl]propan-1-amine
CID 114649244
1-(4-bromo-1-methylpyrazol-5-yl)-N-ethylpentan-1-amine
CID 114657465
N-[(4-bromo-1-methylpyrazol-5-yl)-(2,3-dihydro-1-benzofuran-3-yl)methyl]ethanamine
CID 114659991
N-[(4-chloro-1-methylpyrazol-5-yl)-cyclohexylmethyl]ethanamine
CID 114647881
1-(4-bromo-1-methylpyrazol-5-yl)-N-ethyl-N',N'-dimethylpropane-1,3-diamine
CID 114659492

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-1-methylpyrazol-5-yl)-[2-(trifluoromethyl)cyclohexyl]methyl]ethanamine?
The IUPAC name of N-[(4-bromo-1-methylpyrazol-5-yl)-[2-(trifluoromethyl)cyclohexyl]methyl]ethanamine (CID 105189747) is N-[(4-bromo-1-methylpyrazol-5-yl)-[2-(trifluoromethyl)cyclohexyl]methyl]ethanamine.
What is the SMILES notation for N-[(4-bromo-1-methylpyrazol-5-yl)-[2-(trifluoromethyl)cyclohexyl]methyl]ethanamine?
The canonical SMILES for N-[(4-bromo-1-methylpyrazol-5-yl)-[2-(trifluoromethyl)cyclohexyl]methyl]ethanamine is CCNC(c1c(Br)cnn1C)C1CCCCC1C(F)(F)F.
What is the InChIKey of N-[(4-bromo-1-methylpyrazol-5-yl)-[2-(trifluoromethyl)cyclohexyl]methyl]ethanamine?
The InChIKey is PHTMLPDWANWQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrF3N3/c1-3-19-12(13-11(15)8-20-21(13)2)9-6-4-5-7-10(9)14(16,17)18/h8-10,12,19H,3-7H2,1-2H3.
What are the key properties of N-[(4-bromo-1-methylpyrazol-5-yl)-[2-(trifluoromethyl)cyclohexyl]methyl]ethanamine?
N-[(4-bromo-1-methylpyrazol-5-yl)-[2-(trifluoromethyl)cyclohexyl]methyl]ethanamine has a molecular weight of 368.24 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-1-methylpyrazol-5-yl)-[2-(trifluoromethyl)cyclohexyl]methyl]ethanamine is sourced from PubChem (CID 105189747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).