[4-[[5-methyl-2-(4-methylpyrazol-1-yl)anilino]methyl]phenyl]methanol

C19H21N3O — CID 110006755

IUPAC[4-[[5-methyl-2-(4-methylpyrazol-1-yl)anilino]methyl]phenyl]methanol
SMILESCc1ccc(-n2cc(C)cn2)c(NCc2ccc(CO)cc2)c1
InChIInChI=1S/C19H21N3O/c1-14-3-8-19(22-12-15(2)10-21-22)18(9-14)20-11-16-4-6-17(13-23)7-5-16/h3-10,12,20,23H,11,13H2,1-2H3
InChIKeyLVXPSVPIGVWQAV-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.59
Rot. Bonds5

About [4-[[5-methyl-2-(4-methylpyrazol-1-yl)anilino]methyl]phenyl]methanol

[4-[[5-methyl-2-(4-methylpyrazol-1-yl)anilino]methyl]phenyl]methanol (PubChem CID 110006755) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is [4-[[5-methyl-2-(4-methylpyrazol-1-yl)anilino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[[5-methyl-2-(4-methylpyrazol-1-yl)anilino]methyl]phenyl]methanol
PubChem CID110006755
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name[4-[[5-methyl-2-(4-methylpyrazol-1-yl)anilino]methyl]phenyl]methanol
SMILESCc1ccc(-n2cc(C)cn2)c(NCc2ccc(CO)cc2)c1
InChIInChI=1S/C19H21N3O/c1-14-3-8-19(22-12-15(2)10-21-22)18(9-14)20-11-16-4-6-17(13-23)7-5-16/h3-10,12,20,23H,11,13H2,1-2H3
InChIKeyLVXPSVPIGVWQAV-UHFFFAOYSA-N
XLogP3.59
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[[5-methyl-2-(4-methylpyrazol-1-yl)anilino]methyl]phenyl]methanol?
The IUPAC name of [4-[[5-methyl-2-(4-methylpyrazol-1-yl)anilino]methyl]phenyl]methanol (CID 110006755) is [4-[[5-methyl-2-(4-methylpyrazol-1-yl)anilino]methyl]phenyl]methanol.
What is the SMILES notation for [4-[[5-methyl-2-(4-methylpyrazol-1-yl)anilino]methyl]phenyl]methanol?
The canonical SMILES for [4-[[5-methyl-2-(4-methylpyrazol-1-yl)anilino]methyl]phenyl]methanol is Cc1ccc(-n2cc(C)cn2)c(NCc2ccc(CO)cc2)c1.
What is the InChIKey of [4-[[5-methyl-2-(4-methylpyrazol-1-yl)anilino]methyl]phenyl]methanol?
The InChIKey is LVXPSVPIGVWQAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-14-3-8-19(22-12-15(2)10-21-22)18(9-14)20-11-16-4-6-17(13-23)7-5-16/h3-10,12,20,23H,11,13H2,1-2H3.
What are the key properties of [4-[[5-methyl-2-(4-methylpyrazol-1-yl)anilino]methyl]phenyl]methanol?
[4-[[5-methyl-2-(4-methylpyrazol-1-yl)anilino]methyl]phenyl]methanol has a molecular weight of 307.40 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[5-methyl-2-(4-methylpyrazol-1-yl)anilino]methyl]phenyl]methanol is sourced from PubChem (CID 110006755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).