4-[4,5-dimethoxy-2-(methoxymethyl)phenyl]-1H-pyrazol-5-amine

C13H17N3O3 — CID 117412553

IUPAC4-[4,5-dimethoxy-2-(methoxymethyl)phenyl]-1H-pyrazol-5-amine
SMILESCOCc1cc(OC)c(OC)cc1-c1cn[nH]c1N
InChIInChI=1S/C13H17N3O3/c1-17-7-8-4-11(18-2)12(19-3)5-9(8)10-6-15-16-13(10)14/h4-6H,7H2,1-3H3,(H3,14,15,16)
InChIKeyRISCDYIQFXDOGK-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.82
Rot. Bonds5

About 4-[4,5-dimethoxy-2-(methoxymethyl)phenyl]-1H-pyrazol-5-amine

4-[4,5-dimethoxy-2-(methoxymethyl)phenyl]-1H-pyrazol-5-amine (PubChem CID 117412553) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 4-[4,5-dimethoxy-2-(methoxymethyl)phenyl]-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-[4,5-dimethoxy-2-(methoxymethyl)phenyl]-1H-pyrazol-5-amine
PubChem CID117412553
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name4-[4,5-dimethoxy-2-(methoxymethyl)phenyl]-1H-pyrazol-5-amine
SMILESCOCc1cc(OC)c(OC)cc1-c1cn[nH]c1N
InChIInChI=1S/C13H17N3O3/c1-17-7-8-4-11(18-2)12(19-3)5-9(8)10-6-15-16-13(10)14/h4-6H,7H2,1-3H3,(H3,14,15,16)
InChIKeyRISCDYIQFXDOGK-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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Frequently Asked Questions

What is the IUPAC name of 4-[4,5-dimethoxy-2-(methoxymethyl)phenyl]-1H-pyrazol-5-amine?
The IUPAC name of 4-[4,5-dimethoxy-2-(methoxymethyl)phenyl]-1H-pyrazol-5-amine (CID 117412553) is 4-[4,5-dimethoxy-2-(methoxymethyl)phenyl]-1H-pyrazol-5-amine.
What is the SMILES notation for 4-[4,5-dimethoxy-2-(methoxymethyl)phenyl]-1H-pyrazol-5-amine?
The canonical SMILES for 4-[4,5-dimethoxy-2-(methoxymethyl)phenyl]-1H-pyrazol-5-amine is COCc1cc(OC)c(OC)cc1-c1cn[nH]c1N.
What is the InChIKey of 4-[4,5-dimethoxy-2-(methoxymethyl)phenyl]-1H-pyrazol-5-amine?
The InChIKey is RISCDYIQFXDOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-17-7-8-4-11(18-2)12(19-3)5-9(8)10-6-15-16-13(10)14/h4-6H,7H2,1-3H3,(H3,14,15,16).
What are the key properties of 4-[4,5-dimethoxy-2-(methoxymethyl)phenyl]-1H-pyrazol-5-amine?
4-[4,5-dimethoxy-2-(methoxymethyl)phenyl]-1H-pyrazol-5-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 4-[4,5-dimethoxy-2-(methoxymethyl)phenyl]-1H-pyrazol-5-amine is sourced from PubChem (CID 117412553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).