3-[[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-methylamino]methyl]phenol

C18H18FN3O — CID 46998465

IUPAC3-[[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-methylamino]methyl]phenol
SMILESCN(Cc1cccc(O)c1)Cc1cn[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C18H18FN3O/c1-22(11-13-3-2-4-17(23)9-13)12-15-10-20-21-18(15)14-5-7-16(19)8-6-14/h2-10,23H,11-12H2,1H3,(H,20,21)
InChIKeyPRCSPNPVFIUVIS-UHFFFAOYSA-N
MW311.36 g/mol
LogP3.55
Rot. Bonds5

About 3-[[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-methylamino]methyl]phenol

3-[[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-methylamino]methyl]phenol (PubChem CID 46998465) has the molecular formula C18H18FN3O and a molecular weight of 311.36 g/mol. Its IUPAC name is 3-[[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-methylamino]methyl]phenol.

Molecular Properties

Compound Name3-[[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-methylamino]methyl]phenol
PubChem CID46998465
Molecular FormulaC18H18FN3O
Molecular Weight311.36 g/mol
Exact Mass311.14
IUPAC Name3-[[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-methylamino]methyl]phenol
SMILESCN(Cc1cccc(O)c1)Cc1cn[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C18H18FN3O/c1-22(11-13-3-2-4-17(23)9-13)12-15-10-20-21-18(15)14-5-7-16(19)8-6-14/h2-10,23H,11-12H2,1H3,(H,20,21)
InChIKeyPRCSPNPVFIUVIS-UHFFFAOYSA-N
XLogP3.55
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(3-hydroxyphenyl)methyl-methylamino]methyl]phenol
CID 22070428
[3-[[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-methylamino]methyl]-2,4,6-trimethylphenyl]methanol
CID 46997901
N-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(2-methyl-4-pyridinyl)methanamine
CID 77097342
N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(6-methoxy-3-pyridinyl)-N-methylmethanamine
CID 46993702
2-[[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-methylamino]methyl]pyridine-3-carboxylic acid
CID 50963732
N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-pyridin-4-ylmethanamine
CID 166211654
2-[[methyl-[(5-phenyl-1H-pyrazol-4-yl)methyl]amino]methyl]quinolin-8-ol
CID 56709649
1-(2-ethylpyrimidin-5-yl)-N-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine
CID 77098082
1-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine
CID 50975857
5-(4-fluorophenyl)-4-(2-methylpropyl)-1H-pyrazole
CID 59743851
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylethanamine
CID 171906462
N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-2-pyrimidin-2-ylsulfanylacetamide
CID 46993916

Frequently Asked Questions

What is the IUPAC name of 3-[[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-methylamino]methyl]phenol?
The IUPAC name of 3-[[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-methylamino]methyl]phenol (CID 46998465) is 3-[[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-methylamino]methyl]phenol.
What is the SMILES notation for 3-[[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-methylamino]methyl]phenol?
The canonical SMILES for 3-[[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-methylamino]methyl]phenol is CN(Cc1cccc(O)c1)Cc1cn[nH]c1-c1ccc(F)cc1.
What is the InChIKey of 3-[[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-methylamino]methyl]phenol?
The InChIKey is PRCSPNPVFIUVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O/c1-22(11-13-3-2-4-17(23)9-13)12-15-10-20-21-18(15)14-5-7-16(19)8-6-14/h2-10,23H,11-12H2,1H3,(H,20,21).
What are the key properties of 3-[[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-methylamino]methyl]phenol?
3-[[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-methylamino]methyl]phenol has a molecular weight of 311.36 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-methylamino]methyl]phenol is sourced from PubChem (CID 46998465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).