N-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]-N-ethyl-2-methoxyethanamine

C22H33N3O — CID 70745264

IUPACN-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]-N-ethyl-2-methoxyethanamine
SMILESCCN(CCOC)Cc1cn(C)nc1-c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C22H33N3O/c1-4-25(14-15-26-3)17-21-16-24(2)23-22(21)20-12-10-19(11-13-20)18-8-6-5-7-9-18/h10-13,16,18H,4-9,14-15,17H2,1-3H3
InChIKeyWJZWMCKPNJLOFA-UHFFFAOYSA-N
MW355.53 g/mol
LogP4.60
Rot. Bonds8

About N-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]-N-ethyl-2-methoxyethanamine

N-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]-N-ethyl-2-methoxyethanamine (PubChem CID 70745264) has the molecular formula C22H33N3O and a molecular weight of 355.53 g/mol. Its IUPAC name is N-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]-N-ethyl-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]-N-ethyl-2-methoxyethanamine
PubChem CID70745264
Molecular FormulaC22H33N3O
Molecular Weight355.53 g/mol
Exact Mass355.26
IUPAC NameN-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]-N-ethyl-2-methoxyethanamine
SMILESCCN(CCOC)Cc1cn(C)nc1-c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C22H33N3O/c1-4-25(14-15-26-3)17-21-16-24(2)23-22(21)20-12-10-19(11-13-20)18-8-6-5-7-9-18/h10-13,16,18H,4-9,14-15,17H2,1-3H3
InChIKeyWJZWMCKPNJLOFA-UHFFFAOYSA-N
XLogP4.60
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.53
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]-N-ethyl-2-methoxyethanamine?
The IUPAC name of N-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]-N-ethyl-2-methoxyethanamine (CID 70745264) is N-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]-N-ethyl-2-methoxyethanamine.
What is the SMILES notation for N-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]-N-ethyl-2-methoxyethanamine?
The canonical SMILES for N-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]-N-ethyl-2-methoxyethanamine is CCN(CCOC)Cc1cn(C)nc1-c1ccc(C2CCCCC2)cc1.
What is the InChIKey of N-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]-N-ethyl-2-methoxyethanamine?
The InChIKey is WJZWMCKPNJLOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O/c1-4-25(14-15-26-3)17-21-16-24(2)23-22(21)20-12-10-19(11-13-20)18-8-6-5-7-9-18/h10-13,16,18H,4-9,14-15,17H2,1-3H3.
What are the key properties of N-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]-N-ethyl-2-methoxyethanamine?
N-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]-N-ethyl-2-methoxyethanamine has a molecular weight of 355.53 g/mol, XLogP of 4.60, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]-N-ethyl-2-methoxyethanamine is sourced from PubChem (CID 70745264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).