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

C16H16N4O2 — CID 175799531

IUPAC2-[[5-(6-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]amino]-3-methylphenol
SMILESCOc1ccc(-c2cc(Nc3c(C)cccc3O)n[nH]2)cn1
InChIInChI=1S/C16H16N4O2/c1-10-4-3-5-13(21)16(10)18-14-8-12(19-20-14)11-6-7-15(22-2)17-9-11/h3-9,21H,1-2H3,(H2,18,19,20)
InChIKeyYRWRDCBVXJWQKN-UHFFFAOYSA-N
MW296.33 g/mol
LogP3.24
Rot. Bonds4

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

2-[[5-(6-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]amino]-3-methylphenol (PubChem CID 175799531) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-[[5-(6-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]amino]-3-methylphenol.

Molecular Properties

Compound Name2-[[5-(6-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]amino]-3-methylphenol
PubChem CID175799531
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name2-[[5-(6-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]amino]-3-methylphenol
SMILESCOc1ccc(-c2cc(Nc3c(C)cccc3O)n[nH]2)cn1
InChIInChI=1S/C16H16N4O2/c1-10-4-3-5-13(21)16(10)18-14-8-12(19-20-14)11-6-7-15(22-2)17-9-11/h3-9,21H,1-2H3,(H2,18,19,20)
InChIKeyYRWRDCBVXJWQKN-UHFFFAOYSA-N
XLogP3.24
TPSA83.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(6-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]amino]-3-methylphenol?
The IUPAC name of 2-[[5-(6-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]amino]-3-methylphenol (CID 175799531) is 2-[[5-(6-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]amino]-3-methylphenol.
What is the SMILES notation for 2-[[5-(6-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]amino]-3-methylphenol?
The canonical SMILES for 2-[[5-(6-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]amino]-3-methylphenol is COc1ccc(-c2cc(Nc3c(C)cccc3O)n[nH]2)cn1.
What is the InChIKey of 2-[[5-(6-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]amino]-3-methylphenol?
The InChIKey is YRWRDCBVXJWQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-10-4-3-5-13(21)16(10)18-14-8-12(19-20-14)11-6-7-15(22-2)17-9-11/h3-9,21H,1-2H3,(H2,18,19,20).
What are the key properties of 2-[[5-(6-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]amino]-3-methylphenol?
2-[[5-(6-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]amino]-3-methylphenol has a molecular weight of 296.33 g/mol, XLogP of 3.24, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(6-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]amino]-3-methylphenol is sourced from PubChem (CID 175799531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).