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

C12H15N3O2 — CID 117338159

IUPAC4-[3-methoxy-4-(methoxymethyl)phenyl]-1H-pyrazol-5-amine
SMILESCOCc1ccc(-c2cn[nH]c2N)cc1OC
InChIInChI=1S/C12H15N3O2/c1-16-7-9-4-3-8(5-11(9)17-2)10-6-14-15-12(10)13/h3-6H,7H2,1-2H3,(H3,13,14,15)
InChIKeyFZYQIIVHOPSDMP-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.81
Rot. Bonds4

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

4-[3-methoxy-4-(methoxymethyl)phenyl]-1H-pyrazol-5-amine (PubChem CID 117338159) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 4-[3-methoxy-4-(methoxymethyl)phenyl]-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-[3-methoxy-4-(methoxymethyl)phenyl]-1H-pyrazol-5-amine
PubChem CID117338159
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name4-[3-methoxy-4-(methoxymethyl)phenyl]-1H-pyrazol-5-amine
SMILESCOCc1ccc(-c2cn[nH]c2N)cc1OC
InChIInChI=1S/C12H15N3O2/c1-16-7-9-4-3-8(5-11(9)17-2)10-6-14-15-12(10)13/h3-6H,7H2,1-2H3,(H3,13,14,15)
InChIKeyFZYQIIVHOPSDMP-UHFFFAOYSA-N
XLogP1.81
TPSA73.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4,5-dimethoxy-2-(methoxymethyl)phenyl]-1H-pyrazol-5-amine
CID 117412553
4-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-1H-pyrazol-5-amine
CID 117401936
4-[4-methoxy-3-(thietan-3-yloxy)phenyl]-1H-pyrazol-5-amine
CID 117444360
4-[3-methoxy-4-(1-methylazetidin-3-yl)oxyphenyl]-1H-pyrazol-5-amine
CID 117438444
2-methoxy-1-(methoxymethyl)-4-(4-methylphenyl)benzene
CID 143812993
4-[3-(1,1-dioxothietan-3-yl)oxy-4-methoxyphenyl]-1H-pyrazol-5-amine
CID 117494110
4-[3-bromo-4-[(dimethylamino)methyl]phenyl]-1H-pyrazol-5-amine
CID 117475755
4-(3,5-dimethoxyphenyl)-1H-pyrazol-5-amine
CID 978094
4-[3-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]-1H-pyrazol-5-amine
CID 117465913
4-[4-methoxy-3-(thiolan-3-yloxy)phenyl]-1H-pyrazol-5-amine
CID 117470689
2-methoxy-1-(methoxymethyl)-4-(4-methoxy-2-methylphenyl)benzene
CID 143812999
4-(4-bromo-3-methylphenyl)-1H-pyrazol-5-amine
CID 117383094

Frequently Asked Questions

What is the IUPAC name of 4-[3-methoxy-4-(methoxymethyl)phenyl]-1H-pyrazol-5-amine?
The IUPAC name of 4-[3-methoxy-4-(methoxymethyl)phenyl]-1H-pyrazol-5-amine (CID 117338159) is 4-[3-methoxy-4-(methoxymethyl)phenyl]-1H-pyrazol-5-amine.
What is the SMILES notation for 4-[3-methoxy-4-(methoxymethyl)phenyl]-1H-pyrazol-5-amine?
The canonical SMILES for 4-[3-methoxy-4-(methoxymethyl)phenyl]-1H-pyrazol-5-amine is COCc1ccc(-c2cn[nH]c2N)cc1OC.
What is the InChIKey of 4-[3-methoxy-4-(methoxymethyl)phenyl]-1H-pyrazol-5-amine?
The InChIKey is FZYQIIVHOPSDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-16-7-9-4-3-8(5-11(9)17-2)10-6-14-15-12(10)13/h3-6H,7H2,1-2H3,(H3,13,14,15).
What are the key properties of 4-[3-methoxy-4-(methoxymethyl)phenyl]-1H-pyrazol-5-amine?
4-[3-methoxy-4-(methoxymethyl)phenyl]-1H-pyrazol-5-amine has a molecular weight of 233.27 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-methoxy-4-(methoxymethyl)phenyl]-1H-pyrazol-5-amine is sourced from PubChem (CID 117338159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).