2-[3-[4-(dimethylamino)phenyl]-1H-pyrazol-5-yl]-5-fluorophenol

C17H16FN3O — CID 139187835

IUPAC2-[3-[4-(dimethylamino)phenyl]-1H-pyrazol-5-yl]-5-fluorophenol
SMILESCN(C)c1ccc(-c2cc(-c3ccc(F)cc3O)[nH]n2)cc1
InChIInChI=1S/C17H16FN3O/c1-21(2)13-6-3-11(4-7-13)15-10-16(20-19-15)14-8-5-12(18)9-17(14)22/h3-10,22H,1-2H3,(H,19,20)
InChIKeyNMSDDECBVCUWNT-UHFFFAOYSA-N
MW297.33 g/mol
LogP3.65
Rot. Bonds3

About 2-[3-[4-(dimethylamino)phenyl]-1H-pyrazol-5-yl]-5-fluorophenol

2-[3-[4-(dimethylamino)phenyl]-1H-pyrazol-5-yl]-5-fluorophenol (PubChem CID 139187835) has the molecular formula C17H16FN3O and a molecular weight of 297.33 g/mol. Its IUPAC name is 2-[3-[4-(dimethylamino)phenyl]-1H-pyrazol-5-yl]-5-fluorophenol.

Molecular Properties

Compound Name2-[3-[4-(dimethylamino)phenyl]-1H-pyrazol-5-yl]-5-fluorophenol
PubChem CID139187835
Molecular FormulaC17H16FN3O
Molecular Weight297.33 g/mol
Exact Mass297.13
IUPAC Name2-[3-[4-(dimethylamino)phenyl]-1H-pyrazol-5-yl]-5-fluorophenol
SMILESCN(C)c1ccc(-c2cc(-c3ccc(F)cc3O)[nH]n2)cc1
InChIInChI=1S/C17H16FN3O/c1-21(2)13-6-3-11(4-7-13)15-10-16(20-19-15)14-8-5-12(18)9-17(14)22/h3-10,22H,1-2H3,(H,19,20)
InChIKeyNMSDDECBVCUWNT-UHFFFAOYSA-N
XLogP3.65
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Vrt-532
CID 781239
2-[5-(2-Fluorophenyl)-1H-pyrazol-3-yl]phenol
CID 136226476
2-[5-(1,1,2,2-tetrafluoroethyl)-1H-pyrazol-3-yl]phenol
CID 762936
2-(5-(4-fluorophenyl)-1H-pyrazol-3-yl)phenol
CID 759784
2-[5-(4-tert-Butyl-phenyl)-1H-pyrazol-3-yl]-phenol
CID 775984
5-Methyl-2-(5-p-tolyl-1H-pyrazol-3-yl)-phenol
CID 775990
2-[5-(4-Fluoro-phenyl)-1H-pyrazol-3-yl]-5-methyl-phenol
CID 781217
2-(5-phenyl-1H-pyrazol-3-yl)phenol
CID 781202
4-methyl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol
CID 690720
2-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]phenol
CID 644655
2-[5-(2-methylphenyl)-1H-pyrazol-3-yl]phenol
CID 775981
4-methyl-2-[5-(2-methylphenyl)-1H-pyrazol-3-yl]phenol
CID 775994

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(dimethylamino)phenyl]-1H-pyrazol-5-yl]-5-fluorophenol?
The IUPAC name of 2-[3-[4-(dimethylamino)phenyl]-1H-pyrazol-5-yl]-5-fluorophenol (CID 139187835) is 2-[3-[4-(dimethylamino)phenyl]-1H-pyrazol-5-yl]-5-fluorophenol.
What is the SMILES notation for 2-[3-[4-(dimethylamino)phenyl]-1H-pyrazol-5-yl]-5-fluorophenol?
The canonical SMILES for 2-[3-[4-(dimethylamino)phenyl]-1H-pyrazol-5-yl]-5-fluorophenol is CN(C)c1ccc(-c2cc(-c3ccc(F)cc3O)[nH]n2)cc1.
What is the InChIKey of 2-[3-[4-(dimethylamino)phenyl]-1H-pyrazol-5-yl]-5-fluorophenol?
The InChIKey is NMSDDECBVCUWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O/c1-21(2)13-6-3-11(4-7-13)15-10-16(20-19-15)14-8-5-12(18)9-17(14)22/h3-10,22H,1-2H3,(H,19,20).
What are the key properties of 2-[3-[4-(dimethylamino)phenyl]-1H-pyrazol-5-yl]-5-fluorophenol?
2-[3-[4-(dimethylamino)phenyl]-1H-pyrazol-5-yl]-5-fluorophenol has a molecular weight of 297.33 g/mol, XLogP of 3.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(dimethylamino)phenyl]-1H-pyrazol-5-yl]-5-fluorophenol is sourced from PubChem (CID 139187835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).