[4-[[[1-(4-fluorophenyl)-5-methylpyrazol-3-yl]amino]methyl]phenyl]methanol

C18H18FN3O — CID 110006774

IUPAC[4-[[[1-(4-fluorophenyl)-5-methylpyrazol-3-yl]amino]methyl]phenyl]methanol
SMILESCc1cc(NCc2ccc(CO)cc2)nn1-c1ccc(F)cc1
InChIInChI=1S/C18H18FN3O/c1-13-10-18(20-11-14-2-4-15(12-23)5-3-14)21-22(13)17-8-6-16(19)7-9-17/h2-10,23H,11-12H2,1H3,(H,20,21)
InChIKeyORWPLVPTLWHYHC-UHFFFAOYSA-N
MW311.36 g/mol
LogP3.42
Rot. Bonds5

About [4-[[[1-(4-fluorophenyl)-5-methylpyrazol-3-yl]amino]methyl]phenyl]methanol

[4-[[[1-(4-fluorophenyl)-5-methylpyrazol-3-yl]amino]methyl]phenyl]methanol (PubChem CID 110006774) has the molecular formula C18H18FN3O and a molecular weight of 311.36 g/mol. Its IUPAC name is [4-[[[1-(4-fluorophenyl)-5-methylpyrazol-3-yl]amino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[[[1-(4-fluorophenyl)-5-methylpyrazol-3-yl]amino]methyl]phenyl]methanol
PubChem CID110006774
Molecular FormulaC18H18FN3O
Molecular Weight311.36 g/mol
Exact Mass311.14
IUPAC Name[4-[[[1-(4-fluorophenyl)-5-methylpyrazol-3-yl]amino]methyl]phenyl]methanol
SMILESCc1cc(NCc2ccc(CO)cc2)nn1-c1ccc(F)cc1
InChIInChI=1S/C18H18FN3O/c1-13-10-18(20-11-14-2-4-15(12-23)5-3-14)21-22(13)17-8-6-16(19)7-9-17/h2-10,23H,11-12H2,1H3,(H,20,21)
InChIKeyORWPLVPTLWHYHC-UHFFFAOYSA-N
XLogP3.42
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [4-[[[1-(4-fluorophenyl)-5-methylpyrazol-3-yl]amino]methyl]phenyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[[[1-(4-fluorophenyl)-5-methylpyrazol-3-yl]amino]methyl]phenyl]methanol?
The IUPAC name of [4-[[[1-(4-fluorophenyl)-5-methylpyrazol-3-yl]amino]methyl]phenyl]methanol (CID 110006774) is [4-[[[1-(4-fluorophenyl)-5-methylpyrazol-3-yl]amino]methyl]phenyl]methanol.
What is the SMILES notation for [4-[[[1-(4-fluorophenyl)-5-methylpyrazol-3-yl]amino]methyl]phenyl]methanol?
The canonical SMILES for [4-[[[1-(4-fluorophenyl)-5-methylpyrazol-3-yl]amino]methyl]phenyl]methanol is Cc1cc(NCc2ccc(CO)cc2)nn1-c1ccc(F)cc1.
What is the InChIKey of [4-[[[1-(4-fluorophenyl)-5-methylpyrazol-3-yl]amino]methyl]phenyl]methanol?
The InChIKey is ORWPLVPTLWHYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O/c1-13-10-18(20-11-14-2-4-15(12-23)5-3-14)21-22(13)17-8-6-16(19)7-9-17/h2-10,23H,11-12H2,1H3,(H,20,21).
What are the key properties of [4-[[[1-(4-fluorophenyl)-5-methylpyrazol-3-yl]amino]methyl]phenyl]methanol?
[4-[[[1-(4-fluorophenyl)-5-methylpyrazol-3-yl]amino]methyl]phenyl]methanol has a molecular weight of 311.36 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[[1-(4-fluorophenyl)-5-methylpyrazol-3-yl]amino]methyl]phenyl]methanol is sourced from PubChem (CID 110006774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).