2-(3-amino-1H-pyrazol-5-yl)-3-methoxy-6-methylphenol

C11H13N3O2 — CID 136993746

IUPAC2-(3-amino-1H-pyrazol-5-yl)-3-methoxy-6-methylphenol
SMILESCOc1ccc(C)c(O)c1-c1cc(N)n[nH]1
InChIInChI=1S/C11H13N3O2/c1-6-3-4-8(16-2)10(11(6)15)7-5-9(12)14-13-7/h3-5,15H,1-2H3,(H3,12,13,14)
InChIKeyCSVDFRHDPLSWMS-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.68
Rot. Bonds2

About 2-(3-amino-1H-pyrazol-5-yl)-3-methoxy-6-methylphenol

2-(3-amino-1H-pyrazol-5-yl)-3-methoxy-6-methylphenol (PubChem CID 136993746) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 2-(3-amino-1H-pyrazol-5-yl)-3-methoxy-6-methylphenol.

Molecular Properties

Compound Name2-(3-amino-1H-pyrazol-5-yl)-3-methoxy-6-methylphenol
PubChem CID136993746
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name2-(3-amino-1H-pyrazol-5-yl)-3-methoxy-6-methylphenol
SMILESCOc1ccc(C)c(O)c1-c1cc(N)n[nH]1
InChIInChI=1S/C11H13N3O2/c1-6-3-4-8(16-2)10(11(6)15)7-5-9(12)14-13-7/h3-5,15H,1-2H3,(H3,12,13,14)
InChIKeyCSVDFRHDPLSWMS-UHFFFAOYSA-N
XLogP1.68
TPSA84.16 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1H-pyrazol-5-yl)-3-methoxy-6-methylphenol?
The IUPAC name of 2-(3-amino-1H-pyrazol-5-yl)-3-methoxy-6-methylphenol (CID 136993746) is 2-(3-amino-1H-pyrazol-5-yl)-3-methoxy-6-methylphenol.
What is the SMILES notation for 2-(3-amino-1H-pyrazol-5-yl)-3-methoxy-6-methylphenol?
The canonical SMILES for 2-(3-amino-1H-pyrazol-5-yl)-3-methoxy-6-methylphenol is COc1ccc(C)c(O)c1-c1cc(N)n[nH]1.
What is the InChIKey of 2-(3-amino-1H-pyrazol-5-yl)-3-methoxy-6-methylphenol?
The InChIKey is CSVDFRHDPLSWMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-6-3-4-8(16-2)10(11(6)15)7-5-9(12)14-13-7/h3-5,15H,1-2H3,(H3,12,13,14).
What are the key properties of 2-(3-amino-1H-pyrazol-5-yl)-3-methoxy-6-methylphenol?
2-(3-amino-1H-pyrazol-5-yl)-3-methoxy-6-methylphenol has a molecular weight of 219.24 g/mol, XLogP of 1.68, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1H-pyrazol-5-yl)-3-methoxy-6-methylphenol is sourced from PubChem (CID 136993746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).