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

C17H17N3O — CID 135926264

IUPAC2-[3-[4-(dimethylamino)phenyl]-1H-pyrazol-5-yl]phenol
SMILESCN(C)c1ccc(-c2cc(-c3ccccc3O)[nH]n2)cc1
InChIInChI=1S/C17H17N3O/c1-20(2)13-9-7-12(8-10-13)15-11-16(19-18-15)14-5-3-4-6-17(14)21/h3-11,21H,1-2H3,(H,18,19)
InChIKeyMNNFXQOVRVIAAB-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.52
Rot. Bonds3

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

2-[3-[4-(dimethylamino)phenyl]-1H-pyrazol-5-yl]phenol (PubChem CID 135926264) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[3-[4-(dimethylamino)phenyl]-1H-pyrazol-5-yl]phenol.

Molecular Properties

Compound Name2-[3-[4-(dimethylamino)phenyl]-1H-pyrazol-5-yl]phenol
PubChem CID135926264
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name2-[3-[4-(dimethylamino)phenyl]-1H-pyrazol-5-yl]phenol
SMILESCN(C)c1ccc(-c2cc(-c3ccccc3O)[nH]n2)cc1
InChIInChI=1S/C17H17N3O/c1-20(2)13-9-7-12(8-10-13)15-11-16(19-18-15)14-5-3-4-6-17(14)21/h3-11,21H,1-2H3,(H,18,19)
InChIKeyMNNFXQOVRVIAAB-UHFFFAOYSA-N
XLogP3.52
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.52
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
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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-(3,5-Dimethyl-1-phenylpyrazol-4-yl)phenol
CID 832558
2-(5-phenyl-1H-pyrazol-3-yl)phenol
CID 781202
2-[5-(4-Methoxy-phenyl)-1H-pyrazol-3-yl]-phenol
CID 3750129
2-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]phenol
CID 644655
2-[5-(2-methylphenyl)-1H-pyrazol-3-yl]phenol
CID 775981

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(dimethylamino)phenyl]-1H-pyrazol-5-yl]phenol?
The IUPAC name of 2-[3-[4-(dimethylamino)phenyl]-1H-pyrazol-5-yl]phenol (CID 135926264) is 2-[3-[4-(dimethylamino)phenyl]-1H-pyrazol-5-yl]phenol.
What is the SMILES notation for 2-[3-[4-(dimethylamino)phenyl]-1H-pyrazol-5-yl]phenol?
The canonical SMILES for 2-[3-[4-(dimethylamino)phenyl]-1H-pyrazol-5-yl]phenol is CN(C)c1ccc(-c2cc(-c3ccccc3O)[nH]n2)cc1.
What is the InChIKey of 2-[3-[4-(dimethylamino)phenyl]-1H-pyrazol-5-yl]phenol?
The InChIKey is MNNFXQOVRVIAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-20(2)13-9-7-12(8-10-13)15-11-16(19-18-15)14-5-3-4-6-17(14)21/h3-11,21H,1-2H3,(H,18,19).
What are the key properties of 2-[3-[4-(dimethylamino)phenyl]-1H-pyrazol-5-yl]phenol?
2-[3-[4-(dimethylamino)phenyl]-1H-pyrazol-5-yl]phenol has a molecular weight of 279.34 g/mol, XLogP of 3.52, 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]phenol is sourced from PubChem (CID 135926264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).