N-[(2-ethylpyrazol-3-yl)methyl]-1-[4-methoxy-3-(methoxymethyl)phenyl]methanamine

C16H23N3O2 — CID 19625048

IUPACN-[(2-ethylpyrazol-3-yl)methyl]-1-[4-methoxy-3-(methoxymethyl)phenyl]methanamine
SMILESCCn1nccc1CNCc1ccc(OC)c(COC)c1
InChIInChI=1S/C16H23N3O2/c1-4-19-15(7-8-18-19)11-17-10-13-5-6-16(21-3)14(9-13)12-20-2/h5-9,17H,4,10-12H2,1-3H3
InChIKeySACWPHPVMRFUJD-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.35
Rot. Bonds8

About N-[(2-ethylpyrazol-3-yl)methyl]-1-[4-methoxy-3-(methoxymethyl)phenyl]methanamine

N-[(2-ethylpyrazol-3-yl)methyl]-1-[4-methoxy-3-(methoxymethyl)phenyl]methanamine (PubChem CID 19625048) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[(2-ethylpyrazol-3-yl)methyl]-1-[4-methoxy-3-(methoxymethyl)phenyl]methanamine.

Molecular Properties

Compound NameN-[(2-ethylpyrazol-3-yl)methyl]-1-[4-methoxy-3-(methoxymethyl)phenyl]methanamine
PubChem CID19625048
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-[(2-ethylpyrazol-3-yl)methyl]-1-[4-methoxy-3-(methoxymethyl)phenyl]methanamine
SMILESCCn1nccc1CNCc1ccc(OC)c(COC)c1
InChIInChI=1S/C16H23N3O2/c1-4-19-15(7-8-18-19)11-17-10-13-5-6-16(21-3)14(9-13)12-20-2/h5-9,17H,4,10-12H2,1-3H3
InChIKeySACWPHPVMRFUJD-UHFFFAOYSA-N
XLogP2.35
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anisol_B(2)', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N-[[5-[[(2-ethylpyrazol-3-yl)methylamino]methyl]-2-methoxyphenyl]methyl]ethanamine
CID 19625042
N-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-1-(2-ethylpyrazol-3-yl)ethanamine
CID 19625166
[3-[[(2-ethylpyrazol-3-yl)methylamino]methyl]phenyl]methanol
CID 113334884
1-[4-methoxy-3-(methoxymethyl)phenyl]-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 131951323
1-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-N-[(2-methylpyrazol-3-yl)methyl]methanamine
CID 19625014
1-(2-ethylpyrazol-3-yl)-N-[(2-propylpyrazol-3-yl)methyl]methanamine
CID 19625523
2-[[2-methoxy-5-(propylaminomethyl)phenyl]methyl]pyridazin-3-one
CID 62850131
N-[(2-ethylpyrazol-3-yl)methyl]-2-methoxyethanamine;hydrochloride
CID 126964497
N-[(2-ethylpyrazol-3-yl)methyl]-2-methoxy-5-methylaniline
CID 19619277
1-(2-methoxy-4-pyridinyl)-N-[(2-propylpyrazol-3-yl)methyl]methanamine
CID 114555758
2-[[5-(ethylaminomethyl)-2-methoxyphenyl]methyl]pyridazin-3-one
CID 62850130
5-[[(1-ethyl-5-methylpyrazol-4-yl)methylamino]methyl]-2-methoxyphenol
CID 19627526

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]-1-[4-methoxy-3-(methoxymethyl)phenyl]methanamine?
The IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]-1-[4-methoxy-3-(methoxymethyl)phenyl]methanamine (CID 19625048) is N-[(2-ethylpyrazol-3-yl)methyl]-1-[4-methoxy-3-(methoxymethyl)phenyl]methanamine.
What is the SMILES notation for N-[(2-ethylpyrazol-3-yl)methyl]-1-[4-methoxy-3-(methoxymethyl)phenyl]methanamine?
The canonical SMILES for N-[(2-ethylpyrazol-3-yl)methyl]-1-[4-methoxy-3-(methoxymethyl)phenyl]methanamine is CCn1nccc1CNCc1ccc(OC)c(COC)c1.
What is the InChIKey of N-[(2-ethylpyrazol-3-yl)methyl]-1-[4-methoxy-3-(methoxymethyl)phenyl]methanamine?
The InChIKey is SACWPHPVMRFUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-4-19-15(7-8-18-19)11-17-10-13-5-6-16(21-3)14(9-13)12-20-2/h5-9,17H,4,10-12H2,1-3H3.
What are the key properties of N-[(2-ethylpyrazol-3-yl)methyl]-1-[4-methoxy-3-(methoxymethyl)phenyl]methanamine?
N-[(2-ethylpyrazol-3-yl)methyl]-1-[4-methoxy-3-(methoxymethyl)phenyl]methanamine has a molecular weight of 289.38 g/mol, XLogP of 2.35, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylpyrazol-3-yl)methyl]-1-[4-methoxy-3-(methoxymethyl)phenyl]methanamine is sourced from PubChem (CID 19625048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).