5-(methoxymethyl)-4-(4-methoxyphenyl)-1H-pyrazol-3-amine

C12H15N3O2 — CID 6501942

IUPAC5-(methoxymethyl)-4-(4-methoxyphenyl)-1H-pyrazol-3-amine
SMILESCOCc1[nH]nc(N)c1-c1ccc(OC)cc1
InChIInChI=1S/C12H15N3O2/c1-16-7-10-11(12(13)15-14-10)8-3-5-9(17-2)6-4-8/h3-6H,7H2,1-2H3,(H3,13,14,15)
InChIKeyUDTOQOFLFBUBPW-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.81
Rot. Bonds4

About 5-(methoxymethyl)-4-(4-methoxyphenyl)-1H-pyrazol-3-amine

5-(methoxymethyl)-4-(4-methoxyphenyl)-1H-pyrazol-3-amine (PubChem CID 6501942) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 5-(methoxymethyl)-4-(4-methoxyphenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(methoxymethyl)-4-(4-methoxyphenyl)-1H-pyrazol-3-amine
PubChem CID6501942
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name5-(methoxymethyl)-4-(4-methoxyphenyl)-1H-pyrazol-3-amine
SMILESCOCc1[nH]nc(N)c1-c1ccc(OC)cc1
InChIInChI=1S/C12H15N3O2/c1-16-7-10-11(12(13)15-14-10)8-3-5-9(17-2)6-4-8/h3-6H,7H2,1-2H3,(H3,13,14,15)
InChIKeyUDTOQOFLFBUBPW-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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Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-4-(4-methoxyphenyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(methoxymethyl)-4-(4-methoxyphenyl)-1H-pyrazol-3-amine (CID 6501942) is 5-(methoxymethyl)-4-(4-methoxyphenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(methoxymethyl)-4-(4-methoxyphenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(methoxymethyl)-4-(4-methoxyphenyl)-1H-pyrazol-3-amine is COCc1[nH]nc(N)c1-c1ccc(OC)cc1.
What is the InChIKey of 5-(methoxymethyl)-4-(4-methoxyphenyl)-1H-pyrazol-3-amine?
The InChIKey is UDTOQOFLFBUBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-16-7-10-11(12(13)15-14-10)8-3-5-9(17-2)6-4-8/h3-6H,7H2,1-2H3,(H3,13,14,15).
What are the key properties of 5-(methoxymethyl)-4-(4-methoxyphenyl)-1H-pyrazol-3-amine?
5-(methoxymethyl)-4-(4-methoxyphenyl)-1H-pyrazol-3-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 5-(methoxymethyl)-4-(4-methoxyphenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 6501942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).