N-[[4-[(1-ethylpyrazol-4-yl)methoxy]-3-methoxyphenyl]methyl]ethanamine

C16H23N3O2 — CID 62127738

IUPACN-[[4-[(1-ethylpyrazol-4-yl)methoxy]-3-methoxyphenyl]methyl]ethanamine
SMILESCCNCc1ccc(OCc2cnn(CC)c2)c(OC)c1
InChIInChI=1S/C16H23N3O2/c1-4-17-9-13-6-7-15(16(8-13)20-3)21-12-14-10-18-19(5-2)11-14/h6-8,10-11,17H,4-5,9,12H2,1-3H3
InChIKeyKYSNSDDYOQCALE-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.60
Rot. Bonds8

About N-[[4-[(1-ethylpyrazol-4-yl)methoxy]-3-methoxyphenyl]methyl]ethanamine

N-[[4-[(1-ethylpyrazol-4-yl)methoxy]-3-methoxyphenyl]methyl]ethanamine (PubChem CID 62127738) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[[4-[(1-ethylpyrazol-4-yl)methoxy]-3-methoxyphenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-[(1-ethylpyrazol-4-yl)methoxy]-3-methoxyphenyl]methyl]ethanamine
PubChem CID62127738
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-[[4-[(1-ethylpyrazol-4-yl)methoxy]-3-methoxyphenyl]methyl]ethanamine
SMILESCCNCc1ccc(OCc2cnn(CC)c2)c(OC)c1
InChIInChI=1S/C16H23N3O2/c1-4-17-9-13-6-7-15(16(8-13)20-3)21-12-14-10-18-19(5-2)11-14/h6-8,10-11,17H,4-5,9,12H2,1-3H3
InChIKeyKYSNSDDYOQCALE-UHFFFAOYSA-N
XLogP2.60
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 ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(1-ethylpyrazol-4-yl)methoxy]-3-methoxybenzaldehyde
CID 55040995
1-[4-[(1-ethylpyrazol-4-yl)methoxy]-3-methoxyphenyl]ethanone
CID 62127437
1-[3-methoxy-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]-N-methylmethanamine
CID 60881865
N-[[3,5-dibromo-4-[(1-ethylpyrazol-4-yl)methoxy]phenyl]methyl]ethanamine
CID 107742257
[4-[(1-ethylpyrazol-4-yl)methoxy]-3,5-dimethoxyphenyl]methanol
CID 62125678
N-[(3,4-dimethoxyphenyl)methyl]-1-ethylpyrazol-4-amine
CID 19625859
N-[(1-ethylpyrazol-4-yl)methyl]-1-(3,4,5-trimethoxyphenyl)methanamine
CID 19624946
N-[[4-methoxy-3-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methyl]ethanamine
CID 102999613
N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]-2-(4-methylpyrazol-1-yl)ethanamine
CID 119127593
1-[cyclohexyl(methyl)amino]-3-[4-[[(1-ethylpyrazol-4-yl)methylamino]methyl]-2-methoxyphenoxy]propan-2-ol
CID 45241948
4-[[4-(bromomethyl)-2,6-dimethoxyphenoxy]methyl]-1-ethylpyrazole
CID 62125862
N-[(3-ethoxy-4-methoxyphenyl)methyl]ethanamine
CID 4717500

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(1-ethylpyrazol-4-yl)methoxy]-3-methoxyphenyl]methyl]ethanamine?
The IUPAC name of N-[[4-[(1-ethylpyrazol-4-yl)methoxy]-3-methoxyphenyl]methyl]ethanamine (CID 62127738) is N-[[4-[(1-ethylpyrazol-4-yl)methoxy]-3-methoxyphenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-[(1-ethylpyrazol-4-yl)methoxy]-3-methoxyphenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-[(1-ethylpyrazol-4-yl)methoxy]-3-methoxyphenyl]methyl]ethanamine is CCNCc1ccc(OCc2cnn(CC)c2)c(OC)c1.
What is the InChIKey of N-[[4-[(1-ethylpyrazol-4-yl)methoxy]-3-methoxyphenyl]methyl]ethanamine?
The InChIKey is KYSNSDDYOQCALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-4-17-9-13-6-7-15(16(8-13)20-3)21-12-14-10-18-19(5-2)11-14/h6-8,10-11,17H,4-5,9,12H2,1-3H3.
What are the key properties of N-[[4-[(1-ethylpyrazol-4-yl)methoxy]-3-methoxyphenyl]methyl]ethanamine?
N-[[4-[(1-ethylpyrazol-4-yl)methoxy]-3-methoxyphenyl]methyl]ethanamine has a molecular weight of 289.38 g/mol, XLogP of 2.60, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(1-ethylpyrazol-4-yl)methoxy]-3-methoxyphenyl]methyl]ethanamine is sourced from PubChem (CID 62127738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).