N-[[2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]cyclohexyl]methyl]ethanamine

C16H28BrN3 — CID 81028702

IUPACN-[[2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]cyclohexyl]methyl]ethanamine
SMILESCCNCC1CCCCC1Cc1c(Br)c(C)nn1CC
InChIInChI=1S/C16H28BrN3/c1-4-18-11-14-9-7-6-8-13(14)10-15-16(17)12(3)19-20(15)5-2/h13-14,18H,4-11H2,1-3H3
InChIKeyBLTHJRSRVRYFFP-UHFFFAOYSA-N
MW342.33 g/mol
LogP3.93
Rot. Bonds6

About N-[[2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]cyclohexyl]methyl]ethanamine

N-[[2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]cyclohexyl]methyl]ethanamine (PubChem CID 81028702) has the molecular formula C16H28BrN3 and a molecular weight of 342.33 g/mol. Its IUPAC name is N-[[2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]cyclohexyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]cyclohexyl]methyl]ethanamine
PubChem CID81028702
Molecular FormulaC16H28BrN3
Molecular Weight342.33 g/mol
Exact Mass341.15
IUPAC NameN-[[2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]cyclohexyl]methyl]ethanamine
SMILESCCNCC1CCCCC1Cc1c(Br)c(C)nn1CC
InChIInChI=1S/C16H28BrN3/c1-4-18-11-14-9-7-6-8-13(14)10-15-16(17)12(3)19-20(15)5-2/h13-14,18H,4-11H2,1-3H3
InChIKeyBLTHJRSRVRYFFP-UHFFFAOYSA-N
XLogP3.93
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.33
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]cyclohexyl]methyl]ethanamine with MolForge

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Related Compounds

N-[[2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]cyclohexyl]methyl]propan-2-amine
CID 81027565
[2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]cyclopentyl]methanamine
CID 81011005
N-[[2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]cyclohexyl]methyl]propan-1-amine
CID 81026860
4-bromo-5-[(4-bromooxan-3-yl)methyl]-1-ethyl-3-methylpyrazole
CID 106471712
N-[[2-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-4-ethylcyclohexyl]methyl]ethanamine
CID 81034972
1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-N-cyclopentyloxymethanamine
CID 83228285
N-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-1-(thiolan-2-yl)methanamine
CID 80584498
1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-(ethylamino)propan-2-one
CID 116562485
[2-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]cycloheptyl]methanamine
CID 81011059
4-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-N-propylthiolan-3-amine
CID 83196417
3-[[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methylamino]methyl]cyclohexan-1-ol
CID 106132006
4-bromo-5-(cyclopentylmethoxymethyl)-1-ethyl-3-methylpyrazole
CID 66322233

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]cyclohexyl]methyl]ethanamine?
The IUPAC name of N-[[2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]cyclohexyl]methyl]ethanamine (CID 81028702) is N-[[2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]cyclohexyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]cyclohexyl]methyl]ethanamine?
The canonical SMILES for N-[[2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]cyclohexyl]methyl]ethanamine is CCNCC1CCCCC1Cc1c(Br)c(C)nn1CC.
What is the InChIKey of N-[[2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]cyclohexyl]methyl]ethanamine?
The InChIKey is BLTHJRSRVRYFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28BrN3/c1-4-18-11-14-9-7-6-8-13(14)10-15-16(17)12(3)19-20(15)5-2/h13-14,18H,4-11H2,1-3H3.
What are the key properties of N-[[2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]cyclohexyl]methyl]ethanamine?
N-[[2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]cyclohexyl]methyl]ethanamine has a molecular weight of 342.33 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]cyclohexyl]methyl]ethanamine is sourced from PubChem (CID 81028702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).