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

C18H19N3O — CID 135518156

IUPAC2-[3-[4-(dimethylamino)phenyl]-1H-pyrazol-5-yl]-4-methylphenol
SMILESCc1ccc(O)c(-c2cc(-c3ccc(N(C)C)cc3)n[nH]2)c1
InChIInChI=1S/C18H19N3O/c1-12-4-9-18(22)15(10-12)17-11-16(19-20-17)13-5-7-14(8-6-13)21(2)3/h4-11,22H,1-3H3,(H,19,20)
InChIKeyZPTCQNOXDSOVAS-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.82
Rot. Bonds3

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

2-[3-[4-(dimethylamino)phenyl]-1H-pyrazol-5-yl]-4-methylphenol (PubChem CID 135518156) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-[3-[4-(dimethylamino)phenyl]-1H-pyrazol-5-yl]-4-methylphenol.

Molecular Properties

Compound Name2-[3-[4-(dimethylamino)phenyl]-1H-pyrazol-5-yl]-4-methylphenol
PubChem CID135518156
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name2-[3-[4-(dimethylamino)phenyl]-1H-pyrazol-5-yl]-4-methylphenol
SMILESCc1ccc(O)c(-c2cc(-c3ccc(N(C)C)cc3)n[nH]2)c1
InChIInChI=1S/C18H19N3O/c1-12-4-9-18(22)15(10-12)17-11-16(19-20-17)13-5-7-14(8-6-13)21(2)3/h4-11,22H,1-3H3,(H,19,20)
InChIKeyZPTCQNOXDSOVAS-UHFFFAOYSA-N
XLogP3.82
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.82
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-(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
2-[5-(4-Methoxy-phenyl)-1H-pyrazol-3-yl]-phenol
CID 3750129
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]-4-methylphenol?
The IUPAC name of 2-[3-[4-(dimethylamino)phenyl]-1H-pyrazol-5-yl]-4-methylphenol (CID 135518156) is 2-[3-[4-(dimethylamino)phenyl]-1H-pyrazol-5-yl]-4-methylphenol.
What is the SMILES notation for 2-[3-[4-(dimethylamino)phenyl]-1H-pyrazol-5-yl]-4-methylphenol?
The canonical SMILES for 2-[3-[4-(dimethylamino)phenyl]-1H-pyrazol-5-yl]-4-methylphenol is Cc1ccc(O)c(-c2cc(-c3ccc(N(C)C)cc3)n[nH]2)c1.
What is the InChIKey of 2-[3-[4-(dimethylamino)phenyl]-1H-pyrazol-5-yl]-4-methylphenol?
The InChIKey is ZPTCQNOXDSOVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-12-4-9-18(22)15(10-12)17-11-16(19-20-17)13-5-7-14(8-6-13)21(2)3/h4-11,22H,1-3H3,(H,19,20).
What are the key properties of 2-[3-[4-(dimethylamino)phenyl]-1H-pyrazol-5-yl]-4-methylphenol?
2-[3-[4-(dimethylamino)phenyl]-1H-pyrazol-5-yl]-4-methylphenol has a molecular weight of 293.37 g/mol, XLogP of 3.82, 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]-4-methylphenol is sourced from PubChem (CID 135518156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).