N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-1-(1-methylpyrazol-4-yl)ethanamine

C17H23N3O — CID 75428716

IUPACN-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-1-(1-methylpyrazol-4-yl)ethanamine
SMILESCOc1ccc(C2(CNC(C)c3cnn(C)c3)CC2)cc1
InChIInChI=1S/C17H23N3O/c1-13(14-10-19-20(2)11-14)18-12-17(8-9-17)15-4-6-16(21-3)7-5-15/h4-7,10-11,13,18H,8-9,12H2,1-3H3
InChIKeyAVDCFHJPQGYXJR-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.81
Rot. Bonds6

About N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-1-(1-methylpyrazol-4-yl)ethanamine

N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-1-(1-methylpyrazol-4-yl)ethanamine (PubChem CID 75428716) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-1-(1-methylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-1-(1-methylpyrazol-4-yl)ethanamine
PubChem CID75428716
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-1-(1-methylpyrazol-4-yl)ethanamine
SMILESCOc1ccc(C2(CNC(C)c3cnn(C)c3)CC2)cc1
InChIInChI=1S/C17H23N3O/c1-13(14-10-19-20(2)11-14)18-12-17(8-9-17)15-4-6-16(21-3)7-5-15/h4-7,10-11,13,18H,8-9,12H2,1-3H3
InChIKeyAVDCFHJPQGYXJR-UHFFFAOYSA-N
XLogP2.81
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-(4-methoxyphenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine
CID 103001765
N-[(4-methyloxan-4-yl)methyl]-1-(1-methylpyrazol-4-yl)ethanamine
CID 103903333
1-(3-methoxyphenyl)-N-[(1-phenylcyclopropyl)methyl]ethanamine
CID 71862794
N-ethyl-1-(1-methylpyrazol-4-yl)ethanamine
CID 43492401
N-(4-methoxyphenyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 65383877
1-(4-methoxyphenyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 43485945
N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]formamide
CID 110477111
1-(1-methylpyrazol-4-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine
CID 119138531
2-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]butan-1-amine
CID 62693064
N-[2-(2-methylpropoxy)ethyl]-1-(1-methylpyrazol-4-yl)ethanamine
CID 115713690
3-(4-methoxyphenyl)-1-(1-methylpyrazol-4-yl)propan-1-amine
CID 43124177
1-ethyl-2-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-[[1-(4-methoxyphenyl)cyclohexyl]methyl]guanidine
CID 111656100

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-1-(1-methylpyrazol-4-yl)ethanamine?
The IUPAC name of N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-1-(1-methylpyrazol-4-yl)ethanamine (CID 75428716) is N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-1-(1-methylpyrazol-4-yl)ethanamine.
What is the SMILES notation for N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-1-(1-methylpyrazol-4-yl)ethanamine?
The canonical SMILES for N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-1-(1-methylpyrazol-4-yl)ethanamine is COc1ccc(C2(CNC(C)c3cnn(C)c3)CC2)cc1.
What is the InChIKey of N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-1-(1-methylpyrazol-4-yl)ethanamine?
The InChIKey is AVDCFHJPQGYXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-13(14-10-19-20(2)11-14)18-12-17(8-9-17)15-4-6-16(21-3)7-5-15/h4-7,10-11,13,18H,8-9,12H2,1-3H3.
What are the key properties of N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-1-(1-methylpyrazol-4-yl)ethanamine?
N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-1-(1-methylpyrazol-4-yl)ethanamine has a molecular weight of 285.39 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-1-(1-methylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 75428716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).