N-[2-(2-ethyl-5-methylpyrazol-3-yl)-1-(1-methylcyclohexyl)ethyl]propan-1-amine

C18H33N3 — CID 106830290

IUPACN-[2-(2-ethyl-5-methylpyrazol-3-yl)-1-(1-methylcyclohexyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cc(C)nn1CC)C1(C)CCCCC1
InChIInChI=1S/C18H33N3/c1-5-12-19-17(18(4)10-8-7-9-11-18)14-16-13-15(3)20-21(16)6-2/h13,17,19H,5-12,14H2,1-4H3
InChIKeyADGYATFTZPPYQL-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.09
Rot. Bonds7

About N-[2-(2-ethyl-5-methylpyrazol-3-yl)-1-(1-methylcyclohexyl)ethyl]propan-1-amine

N-[2-(2-ethyl-5-methylpyrazol-3-yl)-1-(1-methylcyclohexyl)ethyl]propan-1-amine (PubChem CID 106830290) has the molecular formula C18H33N3 and a molecular weight of 291.48 g/mol. Its IUPAC name is N-[2-(2-ethyl-5-methylpyrazol-3-yl)-1-(1-methylcyclohexyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(2-ethyl-5-methylpyrazol-3-yl)-1-(1-methylcyclohexyl)ethyl]propan-1-amine
PubChem CID106830290
Molecular FormulaC18H33N3
Molecular Weight291.48 g/mol
Exact Mass291.27
IUPAC NameN-[2-(2-ethyl-5-methylpyrazol-3-yl)-1-(1-methylcyclohexyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cc(C)nn1CC)C1(C)CCCCC1
InChIInChI=1S/C18H33N3/c1-5-12-19-17(18(4)10-8-7-9-11-18)14-16-13-15(3)20-21(16)6-2/h13,17,19H,5-12,14H2,1-4H3
InChIKeyADGYATFTZPPYQL-UHFFFAOYSA-N
XLogP4.09
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(1-ethylcyclopentyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
CID 105002697
N-ethyl-2-(2-ethyl-5-methylpyrazol-3-yl)-1-(1-methoxycyclopentyl)ethanamine
CID 104611319
[2-(2-ethyl-5-methylpyrazol-3-yl)-1-(2-methyloxolan-2-yl)ethyl]hydrazine
CID 105250684
1-cyclopentyl-3-(2-ethyl-5-methylpyrazol-3-yl)-N-propylpropan-2-amine
CID 105002712
N-[2-(2,5-dimethylpyrazol-3-yl)-1-(1-methoxycyclobutyl)ethyl]propan-1-amine
CID 116714771
N-[[1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]cyclopropyl]methyl]propan-2-amine
CID 66024464
N-[2-(furan-3-yl)-1-(1-methylcyclohexyl)ethyl]propan-1-amine
CID 106830512
N-[1-(1,1-dioxothiolan-3-yl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 115337039
1-(2-ethyl-5-methylpyrazol-3-yl)-3-[(2-methylpropan-2-yl)oxy]-N-propylpropan-2-amine
CID 105162436
N-[2-(4-bromo-2-fluorophenyl)-1-(1-methylcyclohexyl)ethyl]propan-1-amine
CID 106829981
1-(2,2-dimethylcyclohexyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
CID 107189700
N-[1-(3-chloro-2-pyridinyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 103444850

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethyl-5-methylpyrazol-3-yl)-1-(1-methylcyclohexyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(2-ethyl-5-methylpyrazol-3-yl)-1-(1-methylcyclohexyl)ethyl]propan-1-amine (CID 106830290) is N-[2-(2-ethyl-5-methylpyrazol-3-yl)-1-(1-methylcyclohexyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(2-ethyl-5-methylpyrazol-3-yl)-1-(1-methylcyclohexyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(2-ethyl-5-methylpyrazol-3-yl)-1-(1-methylcyclohexyl)ethyl]propan-1-amine is CCCNC(Cc1cc(C)nn1CC)C1(C)CCCCC1.
What is the InChIKey of N-[2-(2-ethyl-5-methylpyrazol-3-yl)-1-(1-methylcyclohexyl)ethyl]propan-1-amine?
The InChIKey is ADGYATFTZPPYQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3/c1-5-12-19-17(18(4)10-8-7-9-11-18)14-16-13-15(3)20-21(16)6-2/h13,17,19H,5-12,14H2,1-4H3.
What are the key properties of N-[2-(2-ethyl-5-methylpyrazol-3-yl)-1-(1-methylcyclohexyl)ethyl]propan-1-amine?
N-[2-(2-ethyl-5-methylpyrazol-3-yl)-1-(1-methylcyclohexyl)ethyl]propan-1-amine has a molecular weight of 291.48 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethyl-5-methylpyrazol-3-yl)-1-(1-methylcyclohexyl)ethyl]propan-1-amine is sourced from PubChem (CID 106830290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).