6-methyl-2-[[3-(1H-pyrazol-5-yl)anilino]methyl]pyridin-3-ol

C16H16N4O — CID 79156971

IUPAC6-methyl-2-[[3-(1H-pyrazol-5-yl)anilino]methyl]pyridin-3-ol
SMILESCc1ccc(O)c(CNc2cccc(-c3ccn[nH]3)c2)n1
InChIInChI=1S/C16H16N4O/c1-11-5-6-16(21)15(19-11)10-17-13-4-2-3-12(9-13)14-7-8-18-20-14/h2-9,17,21H,10H2,1H3,(H,18,20)
InChIKeyTTYTUWFMABRUPP-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.10
Rot. Bonds4

About 6-methyl-2-[[3-(1H-pyrazol-5-yl)anilino]methyl]pyridin-3-ol

6-methyl-2-[[3-(1H-pyrazol-5-yl)anilino]methyl]pyridin-3-ol (PubChem CID 79156971) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 6-methyl-2-[[3-(1H-pyrazol-5-yl)anilino]methyl]pyridin-3-ol.

Molecular Properties

Compound Name6-methyl-2-[[3-(1H-pyrazol-5-yl)anilino]methyl]pyridin-3-ol
PubChem CID79156971
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name6-methyl-2-[[3-(1H-pyrazol-5-yl)anilino]methyl]pyridin-3-ol
SMILESCc1ccc(O)c(CNc2cccc(-c3ccn[nH]3)c2)n1
InChIInChI=1S/C16H16N4O/c1-11-5-6-16(21)15(19-11)10-17-13-4-2-3-12(9-13)14-7-8-18-20-14/h2-9,17,21H,10H2,1H3,(H,18,20)
InChIKeyTTYTUWFMABRUPP-UHFFFAOYSA-N
XLogP3.10
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[[3-(1H-pyrazol-5-yl)anilino]methyl]pyridin-3-ol?
The IUPAC name of 6-methyl-2-[[3-(1H-pyrazol-5-yl)anilino]methyl]pyridin-3-ol (CID 79156971) is 6-methyl-2-[[3-(1H-pyrazol-5-yl)anilino]methyl]pyridin-3-ol.
What is the SMILES notation for 6-methyl-2-[[3-(1H-pyrazol-5-yl)anilino]methyl]pyridin-3-ol?
The canonical SMILES for 6-methyl-2-[[3-(1H-pyrazol-5-yl)anilino]methyl]pyridin-3-ol is Cc1ccc(O)c(CNc2cccc(-c3ccn[nH]3)c2)n1.
What is the InChIKey of 6-methyl-2-[[3-(1H-pyrazol-5-yl)anilino]methyl]pyridin-3-ol?
The InChIKey is TTYTUWFMABRUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-11-5-6-16(21)15(19-11)10-17-13-4-2-3-12(9-13)14-7-8-18-20-14/h2-9,17,21H,10H2,1H3,(H,18,20).
What are the key properties of 6-methyl-2-[[3-(1H-pyrazol-5-yl)anilino]methyl]pyridin-3-ol?
6-methyl-2-[[3-(1H-pyrazol-5-yl)anilino]methyl]pyridin-3-ol has a molecular weight of 280.33 g/mol, XLogP of 3.10, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[[3-(1H-pyrazol-5-yl)anilino]methyl]pyridin-3-ol is sourced from PubChem (CID 79156971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).