5-[4,5-dimethoxy-2-(methoxymethyl)phenyl]-1H-pyrazol-3-amine

C13H17N3O3 — CID 117412508

IUPAC5-[4,5-dimethoxy-2-(methoxymethyl)phenyl]-1H-pyrazol-3-amine
SMILESCOCc1cc(OC)c(OC)cc1-c1cc(N)n[nH]1
InChIInChI=1S/C13H17N3O3/c1-17-7-8-4-11(18-2)12(19-3)5-9(8)10-6-13(14)16-15-10/h4-6H,7H2,1-3H3,(H3,14,15,16)
InChIKeyRTIROYAQMCAIOK-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.82
Rot. Bonds5

About 5-[4,5-dimethoxy-2-(methoxymethyl)phenyl]-1H-pyrazol-3-amine

5-[4,5-dimethoxy-2-(methoxymethyl)phenyl]-1H-pyrazol-3-amine (PubChem CID 117412508) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 5-[4,5-dimethoxy-2-(methoxymethyl)phenyl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-[4,5-dimethoxy-2-(methoxymethyl)phenyl]-1H-pyrazol-3-amine
PubChem CID117412508
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name5-[4,5-dimethoxy-2-(methoxymethyl)phenyl]-1H-pyrazol-3-amine
SMILESCOCc1cc(OC)c(OC)cc1-c1cc(N)n[nH]1
InChIInChI=1S/C13H17N3O3/c1-17-7-8-4-11(18-2)12(19-3)5-9(8)10-6-13(14)16-15-10/h4-6H,7H2,1-3H3,(H3,14,15,16)
InChIKeyRTIROYAQMCAIOK-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-[5-chloro-4-methoxy-2-(methoxymethyl)phenyl]-1H-pyrazol-3-amine
CID 117422695
5-[4-methoxy-3-(methoxymethyl)phenyl]-1H-pyrazol-3-amine
CID 117338097
5-[3,4-dimethoxy-5-(methoxymethyl)phenyl]-1H-pyrazol-3-amine
CID 117412509
4-[4,5-dimethoxy-2-(methoxymethyl)phenyl]-1H-pyrazol-5-amine
CID 117412553
5-[2,3-difluoro-4-(methoxymethyl)phenyl]-1H-pyrazol-3-amine
CID 117350141
4-(3-amino-1H-pyrazol-5-yl)-2,5-dimethoxyphenol
CID 137017080
5-(2-fluoro-5-methoxy-4-methylphenyl)-1H-pyrazol-3-amine
CID 117315411
2-(3-amino-1H-pyrazol-5-yl)-4-methoxy-5-methylphenol
CID 136993747
3-[2,5-dimethoxy-4-(methoxymethyl)phenyl]-1,2-oxazol-5-amine
CID 117414909
5-[2,3-difluoro-5-(methoxymethyl)phenyl]-1H-pyrazol-3-amine
CID 117350139
5-(5-chloro-2-ethyl-3-methoxyphenyl)-1H-pyrazol-3-amine
CID 117382588
2-(3-amino-1H-pyrazol-5-yl)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-ol
CID 136963394

Frequently Asked Questions

What is the IUPAC name of 5-[4,5-dimethoxy-2-(methoxymethyl)phenyl]-1H-pyrazol-3-amine?
The IUPAC name of 5-[4,5-dimethoxy-2-(methoxymethyl)phenyl]-1H-pyrazol-3-amine (CID 117412508) is 5-[4,5-dimethoxy-2-(methoxymethyl)phenyl]-1H-pyrazol-3-amine.
What is the SMILES notation for 5-[4,5-dimethoxy-2-(methoxymethyl)phenyl]-1H-pyrazol-3-amine?
The canonical SMILES for 5-[4,5-dimethoxy-2-(methoxymethyl)phenyl]-1H-pyrazol-3-amine is COCc1cc(OC)c(OC)cc1-c1cc(N)n[nH]1.
What is the InChIKey of 5-[4,5-dimethoxy-2-(methoxymethyl)phenyl]-1H-pyrazol-3-amine?
The InChIKey is RTIROYAQMCAIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-17-7-8-4-11(18-2)12(19-3)5-9(8)10-6-13(14)16-15-10/h4-6H,7H2,1-3H3,(H3,14,15,16).
What are the key properties of 5-[4,5-dimethoxy-2-(methoxymethyl)phenyl]-1H-pyrazol-3-amine?
5-[4,5-dimethoxy-2-(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-[4,5-dimethoxy-2-(methoxymethyl)phenyl]-1H-pyrazol-3-amine is sourced from PubChem (CID 117412508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).