1-[1-(1-cyclohexylethyl)-5-[(2-methylphenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine

C21H31N3O — CID 142401743

IUPAC1-[1-(1-cyclohexylethyl)-5-[(2-methylphenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine
SMILESCNCc1cc(OCc2ccccc2C)n(C(C)C2CCCCC2)n1
InChIInChI=1S/C21H31N3O/c1-16-9-7-8-12-19(16)15-25-21-13-20(14-22-3)23-24(21)17(2)18-10-5-4-6-11-18/h7-9,12-13,17-18,22H,4-6,10-11,14-15H2,1-3H3
InChIKeyCIQKKAXFGSWBSC-UHFFFAOYSA-N
MW341.50 g/mol
LogP4.63
Rot. Bonds7

About 1-[1-(1-cyclohexylethyl)-5-[(2-methylphenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine

1-[1-(1-cyclohexylethyl)-5-[(2-methylphenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine (PubChem CID 142401743) has the molecular formula C21H31N3O and a molecular weight of 341.50 g/mol. Its IUPAC name is 1-[1-(1-cyclohexylethyl)-5-[(2-methylphenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(1-cyclohexylethyl)-5-[(2-methylphenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine
PubChem CID142401743
Molecular FormulaC21H31N3O
Molecular Weight341.50 g/mol
Exact Mass341.25
IUPAC Name1-[1-(1-cyclohexylethyl)-5-[(2-methylphenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine
SMILESCNCc1cc(OCc2ccccc2C)n(C(C)C2CCCCC2)n1
InChIInChI=1S/C21H31N3O/c1-16-9-7-8-12-19(16)15-25-21-13-20(14-22-3)23-24(21)17(2)18-10-5-4-6-11-18/h7-9,12-13,17-18,22H,4-6,10-11,14-15H2,1-3H3
InChIKeyCIQKKAXFGSWBSC-UHFFFAOYSA-N
XLogP4.63
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-{5-[(2,5-difluorobenzyl)oxy]-1-(3,3-dimethylbutyl)-1H-pyrazol-3-yl}-N-methylmethanamine
CID 56601150
3-(1-benzyl-5-phenylpyrazol-3-yl)oxy-N,N-dimethylpropan-1-amine
CID 9905772
3-(1,5-diphenylpyrazol-3-yl)oxy-N,N-dimethylpropan-1-amine
CID 10314006
US11576897, Example 20
CID 56600157
US11576897, Example 30
CID 56600544
US10183913, Example 31
CID 56600545
US10183913, Example 33
CID 56600546
US11576897, Example 34
CID 56600547
US11576897, Example 37
CID 56600549
US10183913, Example 144
CID 56600955
US10183913, Example 147
CID 56600958
US10183913, Example 269
CID 56601153

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-cyclohexylethyl)-5-[(2-methylphenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(1-cyclohexylethyl)-5-[(2-methylphenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine (CID 142401743) is 1-[1-(1-cyclohexylethyl)-5-[(2-methylphenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(1-cyclohexylethyl)-5-[(2-methylphenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(1-cyclohexylethyl)-5-[(2-methylphenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine is CNCc1cc(OCc2ccccc2C)n(C(C)C2CCCCC2)n1.
What is the InChIKey of 1-[1-(1-cyclohexylethyl)-5-[(2-methylphenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine?
The InChIKey is CIQKKAXFGSWBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O/c1-16-9-7-8-12-19(16)15-25-21-13-20(14-22-3)23-24(21)17(2)18-10-5-4-6-11-18/h7-9,12-13,17-18,22H,4-6,10-11,14-15H2,1-3H3.
What are the key properties of 1-[1-(1-cyclohexylethyl)-5-[(2-methylphenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine?
1-[1-(1-cyclohexylethyl)-5-[(2-methylphenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine has a molecular weight of 341.50 g/mol, XLogP of 4.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-cyclohexylethyl)-5-[(2-methylphenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine is sourced from PubChem (CID 142401743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).