3-[(4-ethoxy-3-methoxyphenyl)methoxy]-1H-pyrazol-5-amine

C13H17N3O3 — CID 68878550

IUPAC3-[(4-ethoxy-3-methoxyphenyl)methoxy]-1H-pyrazol-5-amine
SMILESCCOc1ccc(COc2cc(N)[nH]n2)cc1OC
InChIInChI=1S/C13H17N3O3/c1-3-18-10-5-4-9(6-11(10)17-2)8-19-13-7-12(14)15-16-13/h4-7H,3,8H2,1-2H3,(H3,14,15,16)
InChIKeyVTMFRIIWLJUJSI-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.98
Rot. Bonds6

About 3-[(4-ethoxy-3-methoxyphenyl)methoxy]-1H-pyrazol-5-amine

3-[(4-ethoxy-3-methoxyphenyl)methoxy]-1H-pyrazol-5-amine (PubChem CID 68878550) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 3-[(4-ethoxy-3-methoxyphenyl)methoxy]-1H-pyrazol-5-amine.

Molecular Properties

Compound Name3-[(4-ethoxy-3-methoxyphenyl)methoxy]-1H-pyrazol-5-amine
PubChem CID68878550
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name3-[(4-ethoxy-3-methoxyphenyl)methoxy]-1H-pyrazol-5-amine
SMILESCCOc1ccc(COc2cc(N)[nH]n2)cc1OC
InChIInChI=1S/C13H17N3O3/c1-3-18-10-5-4-9(6-11(10)17-2)8-19-13-7-12(14)15-16-13/h4-7H,3,8H2,1-2H3,(H3,14,15,16)
InChIKeyVTMFRIIWLJUJSI-UHFFFAOYSA-N
XLogP1.98
TPSA82.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N'-[(4-ethoxy-3-methoxyphenyl)methyl]ethane-1,2-diamine
CID 60887964
5-(4-ethoxy-3-methoxyphenyl)-1H-pyrazol-3-amine
CID 3480116
(4-ethoxy-3-methoxyphenyl)methyl hexanoate
CID 78841902
3-(4-ethoxy-3-methoxyphenyl)-N-methylpropan-1-amine
CID 116989176
2-[(4-ethoxy-3-methoxyphenyl)methyl]guanidine
CID 110893217
(4-ethoxy-3-methoxyphenyl)methyl 2-methylpentanoate
CID 78790842
5-(4-ethoxy-3-methoxyphenyl)-4-iodo-1H-pyrazol-3-amine
CID 4203083
2-amino-3-(4-ethoxy-3-methoxyphenyl)propanoic acid
CID 54846805
O-[(3-methoxy-4-propoxyphenyl)methyl]hydroxylamine
CID 71207187
(4-ethoxy-3-methoxyphenyl)methyl 5-fluoro-2-methoxybenzoate
CID 78837074
4-(2-chloroethyl)-2-ethoxy-1-methoxybenzene
CID 68520783
5-[(4-ethoxy-3-methoxyphenyl)methylamino]pentan-1-ol
CID 17206733

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethoxy-3-methoxyphenyl)methoxy]-1H-pyrazol-5-amine?
The IUPAC name of 3-[(4-ethoxy-3-methoxyphenyl)methoxy]-1H-pyrazol-5-amine (CID 68878550) is 3-[(4-ethoxy-3-methoxyphenyl)methoxy]-1H-pyrazol-5-amine.
What is the SMILES notation for 3-[(4-ethoxy-3-methoxyphenyl)methoxy]-1H-pyrazol-5-amine?
The canonical SMILES for 3-[(4-ethoxy-3-methoxyphenyl)methoxy]-1H-pyrazol-5-amine is CCOc1ccc(COc2cc(N)[nH]n2)cc1OC.
What is the InChIKey of 3-[(4-ethoxy-3-methoxyphenyl)methoxy]-1H-pyrazol-5-amine?
The InChIKey is VTMFRIIWLJUJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-3-18-10-5-4-9(6-11(10)17-2)8-19-13-7-12(14)15-16-13/h4-7H,3,8H2,1-2H3,(H3,14,15,16).
What are the key properties of 3-[(4-ethoxy-3-methoxyphenyl)methoxy]-1H-pyrazol-5-amine?
3-[(4-ethoxy-3-methoxyphenyl)methoxy]-1H-pyrazol-5-amine has a molecular weight of 263.30 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethoxy-3-methoxyphenyl)methoxy]-1H-pyrazol-5-amine is sourced from PubChem (CID 68878550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).