1-[4-ethyl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexyl]-N-methylmethanamine

C17H31N3 — CID 81032455

IUPAC1-[4-ethyl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexyl]-N-methylmethanamine
SMILESCCC1CCC(CNC)C(Cc2ccn(C(C)C)n2)C1
InChIInChI=1S/C17H31N3/c1-5-14-6-7-15(12-18-4)16(10-14)11-17-8-9-20(19-17)13(2)3/h8-9,13-16,18H,5-7,10-12H2,1-4H3
InChIKeyJEUUNDTVSHNBCS-UHFFFAOYSA-N
MW277.46 g/mol
LogP3.67
Rot. Bonds6

About 1-[4-ethyl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexyl]-N-methylmethanamine

1-[4-ethyl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexyl]-N-methylmethanamine (PubChem CID 81032455) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is 1-[4-ethyl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-ethyl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexyl]-N-methylmethanamine
PubChem CID81032455
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC Name1-[4-ethyl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexyl]-N-methylmethanamine
SMILESCCC1CCC(CNC)C(Cc2ccn(C(C)C)n2)C1
InChIInChI=1S/C17H31N3/c1-5-14-6-7-15(12-18-4)16(10-14)11-17-8-9-20(19-17)13(2)3/h8-9,13-16,18H,5-7,10-12H2,1-4H3
InChIKeyJEUUNDTVSHNBCS-UHFFFAOYSA-N
XLogP3.67
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexane-1-carboxylic acid
CID 81020642
N-methyl-1-[2-[(1-methylpyrazol-3-yl)methyl]-4-propylcyclohexyl]methanamine
CID 82882340
1-[4-ethyl-2-(pyridin-4-ylmethyl)cyclohexyl]-N-methylmethanamine
CID 81031325
N-[[2-[(1-propan-2-ylpyrazol-3-yl)methyl]cycloheptyl]methyl]ethanamine
CID 81026099
[4-propan-2-yl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexyl]methanamine
CID 81011938
2-methyl-N-[[2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclopentyl]methyl]propan-1-amine
CID 81028346
2-methyl-N-[[2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexyl]methyl]propan-1-amine
CID 81027054
1-[2-[(1-butan-2-ylpyrazol-3-yl)methyl]-4,4-dimethylcyclohexyl]-N-methylmethanamine
CID 81022175
1-[4-ethyl-2-(pyridin-3-ylmethyl)cyclohexyl]-N-methylmethanamine
CID 113447096
1-[4-ethyl-2-(2-ethylbutyl)cyclohexyl]-N-methylmethanamine
CID 82934632
4-tert-butyl-N-methyl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexan-1-amine
CID 64771322
2-[(1-propan-2-ylpyrazol-3-yl)methyl]cycloheptan-1-ol
CID 64772657

Frequently Asked Questions

What is the IUPAC name of 1-[4-ethyl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexyl]-N-methylmethanamine?
The IUPAC name of 1-[4-ethyl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexyl]-N-methylmethanamine (CID 81032455) is 1-[4-ethyl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-ethyl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-ethyl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexyl]-N-methylmethanamine is CCC1CCC(CNC)C(Cc2ccn(C(C)C)n2)C1.
What is the InChIKey of 1-[4-ethyl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexyl]-N-methylmethanamine?
The InChIKey is JEUUNDTVSHNBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-5-14-6-7-15(12-18-4)16(10-14)11-17-8-9-20(19-17)13(2)3/h8-9,13-16,18H,5-7,10-12H2,1-4H3.
What are the key properties of 1-[4-ethyl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexyl]-N-methylmethanamine?
1-[4-ethyl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexyl]-N-methylmethanamine has a molecular weight of 277.46 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-ethyl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexyl]-N-methylmethanamine is sourced from PubChem (CID 81032455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).