5-[3,4-dimethoxy-5-(methoxymethyl)phenyl]-1H-pyrazol-3-amine

C13H17N3O3 — CID 117412509

IUPAC5-[3,4-dimethoxy-5-(methoxymethyl)phenyl]-1H-pyrazol-3-amine
SMILESCOCc1cc(-c2cc(N)n[nH]2)cc(OC)c1OC
InChIInChI=1S/C13H17N3O3/c1-17-7-9-4-8(10-6-12(14)16-15-10)5-11(18-2)13(9)19-3/h4-6H,7H2,1-3H3,(H3,14,15,16)
InChIKeyMAIFHVCBBHYHNH-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.82
Rot. Bonds5

About 5-[3,4-dimethoxy-5-(methoxymethyl)phenyl]-1H-pyrazol-3-amine

5-[3,4-dimethoxy-5-(methoxymethyl)phenyl]-1H-pyrazol-3-amine (PubChem CID 117412509) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 5-[3,4-dimethoxy-5-(methoxymethyl)phenyl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-[3,4-dimethoxy-5-(methoxymethyl)phenyl]-1H-pyrazol-3-amine
PubChem CID117412509
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name5-[3,4-dimethoxy-5-(methoxymethyl)phenyl]-1H-pyrazol-3-amine
SMILESCOCc1cc(-c2cc(N)n[nH]2)cc(OC)c1OC
InChIInChI=1S/C13H17N3O3/c1-17-7-9-4-8(10-6-12(14)16-15-10)5-11(18-2)13(9)19-3/h4-6H,7H2,1-3H3,(H3,14,15,16)
InChIKeyMAIFHVCBBHYHNH-UHFFFAOYSA-N
XLogP1.82
TPSA82.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[4-methoxy-3-(methoxymethyl)phenyl]-1H-pyrazol-3-amine
CID 117338097
5-[4,5-dimethoxy-2-(methoxymethyl)phenyl]-1H-pyrazol-3-amine
CID 117412508
5-[5-chloro-4-methoxy-2-(methoxymethyl)phenyl]-1H-pyrazol-3-amine
CID 117422695
5-(3,5-dimethoxyphenyl)-1H-pyrazol-3-amine
CID 18526074
5-(7-methoxy-1,3-benzodioxol-5-yl)-1H-pyrazol-3-amine
CID 117337654
5-(3-chloro-2,5,6-trimethoxyphenyl)-1H-pyrazol-3-amine
CID 117455942
5-(3-fluoro-2,5,6-trimethoxyphenyl)-1H-pyrazol-3-amine
CID 117421240
5-(2-chloro-3,5,6-trimethoxyphenyl)-1H-pyrazol-3-amine
CID 117455938
5-(4-ethoxy-3-methoxyphenyl)-1H-pyrazol-3-amine
CID 3480116
5-(2-chloro-3,4-dimethoxy-6-methylphenyl)-1H-pyrazol-3-amine
CID 117422703
5-(2-bromo-3,4-dimethoxy-6-methylphenyl)-1H-pyrazol-3-amine
CID 117496845
3,4-dimethoxy-5-(methoxymethyl)benzaldehyde
CID 117275838

Frequently Asked Questions

What is the IUPAC name of 5-[3,4-dimethoxy-5-(methoxymethyl)phenyl]-1H-pyrazol-3-amine?
The IUPAC name of 5-[3,4-dimethoxy-5-(methoxymethyl)phenyl]-1H-pyrazol-3-amine (CID 117412509) is 5-[3,4-dimethoxy-5-(methoxymethyl)phenyl]-1H-pyrazol-3-amine.
What is the SMILES notation for 5-[3,4-dimethoxy-5-(methoxymethyl)phenyl]-1H-pyrazol-3-amine?
The canonical SMILES for 5-[3,4-dimethoxy-5-(methoxymethyl)phenyl]-1H-pyrazol-3-amine is COCc1cc(-c2cc(N)n[nH]2)cc(OC)c1OC.
What is the InChIKey of 5-[3,4-dimethoxy-5-(methoxymethyl)phenyl]-1H-pyrazol-3-amine?
The InChIKey is MAIFHVCBBHYHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-17-7-9-4-8(10-6-12(14)16-15-10)5-11(18-2)13(9)19-3/h4-6H,7H2,1-3H3,(H3,14,15,16).
What are the key properties of 5-[3,4-dimethoxy-5-(methoxymethyl)phenyl]-1H-pyrazol-3-amine?
5-[3,4-dimethoxy-5-(methoxymethyl)phenyl]-1H-pyrazol-3-amine has a molecular weight of 263.30 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3,4-dimethoxy-5-(methoxymethyl)phenyl]-1H-pyrazol-3-amine is sourced from PubChem (CID 117412509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).