N-[(3-ethoxy-2-methoxyphenyl)methyl]-1,3,5-trimethylpyrazol-4-amine

C16H23N3O2 — CID 43768834

IUPACN-[(3-ethoxy-2-methoxyphenyl)methyl]-1,3,5-trimethylpyrazol-4-amine
SMILESCCOc1cccc(CNc2c(C)nn(C)c2C)c1OC
InChIInChI=1S/C16H23N3O2/c1-6-21-14-9-7-8-13(16(14)20-5)10-17-15-11(2)18-19(4)12(15)3/h7-9,17H,6,10H2,1-5H3
InChIKeyAVMZLSXJTHOESC-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.06
Rot. Bonds6

About N-[(3-ethoxy-2-methoxyphenyl)methyl]-1,3,5-trimethylpyrazol-4-amine

N-[(3-ethoxy-2-methoxyphenyl)methyl]-1,3,5-trimethylpyrazol-4-amine (PubChem CID 43768834) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[(3-ethoxy-2-methoxyphenyl)methyl]-1,3,5-trimethylpyrazol-4-amine.

Molecular Properties

Compound NameN-[(3-ethoxy-2-methoxyphenyl)methyl]-1,3,5-trimethylpyrazol-4-amine
PubChem CID43768834
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-[(3-ethoxy-2-methoxyphenyl)methyl]-1,3,5-trimethylpyrazol-4-amine
SMILESCCOc1cccc(CNc2c(C)nn(C)c2C)c1OC
InChIInChI=1S/C16H23N3O2/c1-6-21-14-9-7-8-13(16(14)20-5)10-17-15-11(2)18-19(4)12(15)3/h7-9,17H,6,10H2,1-5H3
InChIKeyAVMZLSXJTHOESC-UHFFFAOYSA-N
XLogP3.06
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-ethoxy-2-methoxyphenyl)methyl]-1-methylpyrazol-3-amine
CID 54921625
N-[(3-ethoxy-2-methoxyphenyl)methyl]-2,5-dimethylpyrrol-1-amine
CID 79090813
N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-methoxyaniline
CID 43757786
1,3,5-trimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrazol-4-amine
CID 28664405
N-[(3-ethoxy-2-methoxyphenyl)methyl]-4-iodoaniline
CID 43773219
N-[(4-ethoxyphenyl)methyl]-1,3,5-trimethylpyrazol-4-amine
CID 28664320
N-[(2,3-dimethoxyphenyl)methyl]-1,5-dimethylpyrazol-4-amine
CID 19625828
4-chloro-N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-methylaniline
CID 43766538
2-[(3-ethoxy-2-methoxyphenyl)methylamino]-2-methylpropan-1-ol
CID 43771181
3-chloro-N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-fluoroaniline
CID 43772873
N-[(3-ethoxy-2-methoxyphenyl)methyl]-3-pyrazol-1-ylpropan-1-amine
CID 115592078
N-[(3-ethoxy-2-methoxyphenyl)methyl]-1-methylcyclopropan-1-amine
CID 113238202

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxy-2-methoxyphenyl)methyl]-1,3,5-trimethylpyrazol-4-amine?
The IUPAC name of N-[(3-ethoxy-2-methoxyphenyl)methyl]-1,3,5-trimethylpyrazol-4-amine (CID 43768834) is N-[(3-ethoxy-2-methoxyphenyl)methyl]-1,3,5-trimethylpyrazol-4-amine.
What is the SMILES notation for N-[(3-ethoxy-2-methoxyphenyl)methyl]-1,3,5-trimethylpyrazol-4-amine?
The canonical SMILES for N-[(3-ethoxy-2-methoxyphenyl)methyl]-1,3,5-trimethylpyrazol-4-amine is CCOc1cccc(CNc2c(C)nn(C)c2C)c1OC.
What is the InChIKey of N-[(3-ethoxy-2-methoxyphenyl)methyl]-1,3,5-trimethylpyrazol-4-amine?
The InChIKey is AVMZLSXJTHOESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-6-21-14-9-7-8-13(16(14)20-5)10-17-15-11(2)18-19(4)12(15)3/h7-9,17H,6,10H2,1-5H3.
What are the key properties of N-[(3-ethoxy-2-methoxyphenyl)methyl]-1,3,5-trimethylpyrazol-4-amine?
N-[(3-ethoxy-2-methoxyphenyl)methyl]-1,3,5-trimethylpyrazol-4-amine has a molecular weight of 289.38 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethoxy-2-methoxyphenyl)methyl]-1,3,5-trimethylpyrazol-4-amine is sourced from PubChem (CID 43768834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).