4-[N-methyl-3-(1-methylpyrazol-3-yl)anilino]phenol

C17H17N3O — CID 145046661

IUPAC4-[N-methyl-3-(1-methylpyrazol-3-yl)anilino]phenol
SMILESCN(c1ccc(O)cc1)c1cccc(-c2ccn(C)n2)c1
InChIInChI=1S/C17H17N3O/c1-19-11-10-17(18-19)13-4-3-5-15(12-13)20(2)14-6-8-16(21)9-7-14/h3-12,21H,1-2H3
InChIKeyZOZRROUPUGGMNR-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.56
Rot. Bonds3

About 4-[N-methyl-3-(1-methylpyrazol-3-yl)anilino]phenol

4-[N-methyl-3-(1-methylpyrazol-3-yl)anilino]phenol (PubChem CID 145046661) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-[N-methyl-3-(1-methylpyrazol-3-yl)anilino]phenol.

Molecular Properties

Compound Name4-[N-methyl-3-(1-methylpyrazol-3-yl)anilino]phenol
PubChem CID145046661
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name4-[N-methyl-3-(1-methylpyrazol-3-yl)anilino]phenol
SMILESCN(c1ccc(O)cc1)c1cccc(-c2ccn(C)n2)c1
InChIInChI=1S/C17H17N3O/c1-19-11-10-17(18-19)13-4-3-5-15(12-13)20(2)14-6-8-16(21)9-7-14/h3-12,21H,1-2H3
InChIKeyZOZRROUPUGGMNR-UHFFFAOYSA-N
XLogP3.56
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[N-methyl-3-(1-methylpyrazol-3-yl)anilino]phenol?
The IUPAC name of 4-[N-methyl-3-(1-methylpyrazol-3-yl)anilino]phenol (CID 145046661) is 4-[N-methyl-3-(1-methylpyrazol-3-yl)anilino]phenol.
What is the SMILES notation for 4-[N-methyl-3-(1-methylpyrazol-3-yl)anilino]phenol?
The canonical SMILES for 4-[N-methyl-3-(1-methylpyrazol-3-yl)anilino]phenol is CN(c1ccc(O)cc1)c1cccc(-c2ccn(C)n2)c1.
What is the InChIKey of 4-[N-methyl-3-(1-methylpyrazol-3-yl)anilino]phenol?
The InChIKey is ZOZRROUPUGGMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-19-11-10-17(18-19)13-4-3-5-15(12-13)20(2)14-6-8-16(21)9-7-14/h3-12,21H,1-2H3.
What are the key properties of 4-[N-methyl-3-(1-methylpyrazol-3-yl)anilino]phenol?
4-[N-methyl-3-(1-methylpyrazol-3-yl)anilino]phenol has a molecular weight of 279.34 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[N-methyl-3-(1-methylpyrazol-3-yl)anilino]phenol is sourced from PubChem (CID 145046661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).