[4-[[2-(3-methylpyrazol-1-yl)anilino]methyl]phenyl]methanol

C18H19N3O — CID 110006736

IUPAC[4-[[2-(3-methylpyrazol-1-yl)anilino]methyl]phenyl]methanol
SMILESCc1ccn(-c2ccccc2NCc2ccc(CO)cc2)n1
InChIInChI=1S/C18H19N3O/c1-14-10-11-21(20-14)18-5-3-2-4-17(18)19-12-15-6-8-16(13-22)9-7-15/h2-11,19,22H,12-13H2,1H3
InChIKeyWLWREYDFMHZYKN-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.29
Rot. Bonds5

About [4-[[2-(3-methylpyrazol-1-yl)anilino]methyl]phenyl]methanol

[4-[[2-(3-methylpyrazol-1-yl)anilino]methyl]phenyl]methanol (PubChem CID 110006736) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is [4-[[2-(3-methylpyrazol-1-yl)anilino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[[2-(3-methylpyrazol-1-yl)anilino]methyl]phenyl]methanol
PubChem CID110006736
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name[4-[[2-(3-methylpyrazol-1-yl)anilino]methyl]phenyl]methanol
SMILESCc1ccn(-c2ccccc2NCc2ccc(CO)cc2)n1
InChIInChI=1S/C18H19N3O/c1-14-10-11-21(20-14)18-5-3-2-4-17(18)19-12-15-6-8-16(13-22)9-7-15/h2-11,19,22H,12-13H2,1H3
InChIKeyWLWREYDFMHZYKN-UHFFFAOYSA-N
XLogP3.29
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[[2-(3-methylpyrazol-1-yl)anilino]methyl]phenyl]methanol?
The IUPAC name of [4-[[2-(3-methylpyrazol-1-yl)anilino]methyl]phenyl]methanol (CID 110006736) is [4-[[2-(3-methylpyrazol-1-yl)anilino]methyl]phenyl]methanol.
What is the SMILES notation for [4-[[2-(3-methylpyrazol-1-yl)anilino]methyl]phenyl]methanol?
The canonical SMILES for [4-[[2-(3-methylpyrazol-1-yl)anilino]methyl]phenyl]methanol is Cc1ccn(-c2ccccc2NCc2ccc(CO)cc2)n1.
What is the InChIKey of [4-[[2-(3-methylpyrazol-1-yl)anilino]methyl]phenyl]methanol?
The InChIKey is WLWREYDFMHZYKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-14-10-11-21(20-14)18-5-3-2-4-17(18)19-12-15-6-8-16(13-22)9-7-15/h2-11,19,22H,12-13H2,1H3.
What are the key properties of [4-[[2-(3-methylpyrazol-1-yl)anilino]methyl]phenyl]methanol?
[4-[[2-(3-methylpyrazol-1-yl)anilino]methyl]phenyl]methanol has a molecular weight of 293.37 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-(3-methylpyrazol-1-yl)anilino]methyl]phenyl]methanol is sourced from PubChem (CID 110006736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).