N-[1-cyclohexyl-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine

C15H27N3 — CID 62126447

IUPACN-[1-cyclohexyl-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cnn(C)c1)C1CCCCC1
InChIInChI=1S/C15H27N3/c1-3-9-16-15(14-7-5-4-6-8-14)10-13-11-17-18(2)12-13/h11-12,14-16H,3-10H2,1-2H3
InChIKeyBURZHDUXMHZQBD-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.91
Rot. Bonds6

About N-[1-cyclohexyl-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine

N-[1-cyclohexyl-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine (PubChem CID 62126447) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is N-[1-cyclohexyl-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-cyclohexyl-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
PubChem CID62126447
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC NameN-[1-cyclohexyl-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cnn(C)c1)C1CCCCC1
InChIInChI=1S/C15H27N3/c1-3-9-16-15(14-7-5-4-6-8-14)10-13-11-17-18(2)12-13/h11-12,14-16H,3-10H2,1-2H3
InChIKeyBURZHDUXMHZQBD-UHFFFAOYSA-N
XLogP2.91
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclooctyl-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 80602955
1-cyclohexyl-1-methoxy-3-(1-methylpyrazol-4-yl)-N-propylpropan-2-amine
CID 116771844
N-[2-(1-methylpyrazol-4-yl)-1-(thiolan-2-yl)ethyl]propan-1-amine
CID 80627528
1-(4,4-dimethylcyclohexyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 65392430
N-[1-cyclooctyl-2-(4-methylphenyl)ethyl]propan-1-amine
CID 65018486
1-cyclohexyl-N-ethyl-N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 104745255
N-ethyl-1-(3-ethylcyclohexyl)-2-(1-methylpyrazol-4-yl)ethanamine
CID 65413948
N-[1-(4-ethylcyclohexyl)-2-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine
CID 65393126
1-(4-ethylcyclohexyl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 65393940
1-cycloheptyl-2-(1-methylpyrazol-4-yl)ethanol
CID 65398921
1-(3-ethylcyclohexyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 103010677
3-methyl-4-(1-methylpyrazol-4-yl)-N-propylbutan-2-amine
CID 62127298

Frequently Asked Questions

What is the IUPAC name of N-[1-cyclohexyl-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-cyclohexyl-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine (CID 62126447) is N-[1-cyclohexyl-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-cyclohexyl-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-cyclohexyl-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine is CCCNC(Cc1cnn(C)c1)C1CCCCC1.
What is the InChIKey of N-[1-cyclohexyl-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine?
The InChIKey is BURZHDUXMHZQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-3-9-16-15(14-7-5-4-6-8-14)10-13-11-17-18(2)12-13/h11-12,14-16H,3-10H2,1-2H3.
What are the key properties of N-[1-cyclohexyl-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine?
N-[1-cyclohexyl-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclohexyl-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine is sourced from PubChem (CID 62126447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).