N-[(3-ethoxy-2-methoxyphenyl)methyl]-1-methylpyrazol-3-amine

C14H19N3O2 — CID 54921625

IUPACN-[(3-ethoxy-2-methoxyphenyl)methyl]-1-methylpyrazol-3-amine
SMILESCCOc1cccc(CNc2ccn(C)n2)c1OC
InChIInChI=1S/C14H19N3O2/c1-4-19-12-7-5-6-11(14(12)18-3)10-15-13-8-9-17(2)16-13/h5-9H,4,10H2,1-3H3,(H,15,16)
InChIKeyJEBUGDCQZORRRS-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.44
Rot. Bonds6

About N-[(3-ethoxy-2-methoxyphenyl)methyl]-1-methylpyrazol-3-amine

N-[(3-ethoxy-2-methoxyphenyl)methyl]-1-methylpyrazol-3-amine (PubChem CID 54921625) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-[(3-ethoxy-2-methoxyphenyl)methyl]-1-methylpyrazol-3-amine.

Molecular Properties

Compound NameN-[(3-ethoxy-2-methoxyphenyl)methyl]-1-methylpyrazol-3-amine
PubChem CID54921625
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC NameN-[(3-ethoxy-2-methoxyphenyl)methyl]-1-methylpyrazol-3-amine
SMILESCCOc1cccc(CNc2ccn(C)n2)c1OC
InChIInChI=1S/C14H19N3O2/c1-4-19-12-7-5-6-11(14(12)18-3)10-15-13-8-9-17(2)16-13/h5-9H,4,10H2,1-3H3,(H,15,16)
InChIKeyJEBUGDCQZORRRS-UHFFFAOYSA-N
XLogP2.44
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-1-methylpyrazol-3-amine
CID 60810315
1-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]pyrazol-3-amine
CID 60809473
N-[(3-ethoxy-2-methoxyphenyl)methyl]-1,3,5-trimethylpyrazol-4-amine
CID 43768834
N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-methoxyaniline
CID 43757786
N-[(3-ethoxy-2-methoxyphenyl)methyl]-3-pyrazol-1-ylpropan-1-amine
CID 115592078
N-[(2-ethylphenyl)methyl]-1-methylpyrazol-3-amine
CID 62392134
N-[(3-ethoxy-2-methoxyphenyl)methyl]-4-iodoaniline
CID 43773219
N-[(3-ethoxy-2-methoxyphenyl)methyl]-2,5-dimethylpyrrol-1-amine
CID 79090813
2-[(3-ethoxy-2-methoxyphenyl)methylamino]-2-methylpropan-1-ol
CID 43771181
N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-(1-methylpyrazol-4-yl)ethanamine
CID 112730122
3-chloro-N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-fluoroaniline
CID 43772873
N-[(3,5-dibromo-4-methoxyphenyl)methyl]-1-methylpyrazol-3-amine
CID 60809796

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxy-2-methoxyphenyl)methyl]-1-methylpyrazol-3-amine?
The IUPAC name of N-[(3-ethoxy-2-methoxyphenyl)methyl]-1-methylpyrazol-3-amine (CID 54921625) is N-[(3-ethoxy-2-methoxyphenyl)methyl]-1-methylpyrazol-3-amine.
What is the SMILES notation for N-[(3-ethoxy-2-methoxyphenyl)methyl]-1-methylpyrazol-3-amine?
The canonical SMILES for N-[(3-ethoxy-2-methoxyphenyl)methyl]-1-methylpyrazol-3-amine is CCOc1cccc(CNc2ccn(C)n2)c1OC.
What is the InChIKey of N-[(3-ethoxy-2-methoxyphenyl)methyl]-1-methylpyrazol-3-amine?
The InChIKey is JEBUGDCQZORRRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-4-19-12-7-5-6-11(14(12)18-3)10-15-13-8-9-17(2)16-13/h5-9H,4,10H2,1-3H3,(H,15,16).
What are the key properties of N-[(3-ethoxy-2-methoxyphenyl)methyl]-1-methylpyrazol-3-amine?
N-[(3-ethoxy-2-methoxyphenyl)methyl]-1-methylpyrazol-3-amine has a molecular weight of 261.32 g/mol, XLogP of 2.44, 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-methylpyrazol-3-amine is sourced from PubChem (CID 54921625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).