3-methyl-4-[[5-[4-(1H-pyrazol-4-yl)phenyl]-1H-pyrazol-3-yl]amino]phenol

C19H17N5O — CID 139391735

IUPAC3-methyl-4-[[5-[4-(1H-pyrazol-4-yl)phenyl]-1H-pyrazol-3-yl]amino]phenol
SMILESCc1cc(O)ccc1Nc1cc(-c2ccc(-c3cn[nH]c3)cc2)[nH]n1
InChIInChI=1S/C19H17N5O/c1-12-8-16(25)6-7-17(12)22-19-9-18(23-24-19)14-4-2-13(3-5-14)15-10-20-21-11-15/h2-11,25H,1H3,(H,20,21)(H2,22,23,24)
InChIKeyYFBXYFBWBCADEX-UHFFFAOYSA-N
MW331.38 g/mol
LogP4.22
Rot. Bonds4

About 3-methyl-4-[[5-[4-(1H-pyrazol-4-yl)phenyl]-1H-pyrazol-3-yl]amino]phenol

3-methyl-4-[[5-[4-(1H-pyrazol-4-yl)phenyl]-1H-pyrazol-3-yl]amino]phenol (PubChem CID 139391735) has the molecular formula C19H17N5O and a molecular weight of 331.38 g/mol. Its IUPAC name is 3-methyl-4-[[5-[4-(1H-pyrazol-4-yl)phenyl]-1H-pyrazol-3-yl]amino]phenol.

Molecular Properties

Compound Name3-methyl-4-[[5-[4-(1H-pyrazol-4-yl)phenyl]-1H-pyrazol-3-yl]amino]phenol
PubChem CID139391735
Molecular FormulaC19H17N5O
Molecular Weight331.38 g/mol
Exact Mass331.14
IUPAC Name3-methyl-4-[[5-[4-(1H-pyrazol-4-yl)phenyl]-1H-pyrazol-3-yl]amino]phenol
SMILESCc1cc(O)ccc1Nc1cc(-c2ccc(-c3cn[nH]c3)cc2)[nH]n1
InChIInChI=1S/C19H17N5O/c1-12-8-16(25)6-7-17(12)22-19-9-18(23-24-19)14-4-2-13(3-5-14)15-10-20-21-11-15/h2-11,25H,1H3,(H,20,21)(H2,22,23,24)
InChIKeyYFBXYFBWBCADEX-UHFFFAOYSA-N
XLogP4.22
TPSA89.62 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 54.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze 3-methyl-4-[[5-[4-(1H-pyrazol-4-yl)phenyl]-1H-pyrazol-3-yl]amino]phenol with MolForge

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

Launch Full Analysis

Related Compounds

2-(6-((3aR,6aS)-hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)pyridazin-3-yl)-5-(1H-pyrazol-4-yl)phenol
CID 136377184
Nvs-SM2
CID 136598218
2-[6-(2,7-Diazaspiro[4.5]dec-2-yl)-3-pyridazinyl]-5-(1H-pyrazol-4-yl)phenol
CID 136598257
4-((5-(4-(1H-pyrazol-4-yl)phenyl)-1H-pyrazol-3-yl)amino)-2-fluoro-5-methylphenol
CID 139391971
3-methyl-4-[[5-[4-[5-(trifluoromethyl)-1H-pyrazol-4-yl]phenyl]-1H-pyrazol-3-yl]amino]phenol
CID 139392007
4-((5-(4-(4-fluoro-1H-pyrazol-1-yl)phenyl)-1H-pyrazol-3-yl)amino)-3-methylphenol
CID 166594351
4-((5-(4-(1H-pyrazol-1-yl)phenyl)-1H-pyrazol-3-yl)amino)-2-fluoro-5-methylphenol
CID 166594358
CYP144A1 ligand, 1
CID 137224539
4-((5-(4-(1H-pyrazol-4-yl)phenyl)-1H-pyrazol-3-yl)amino-3-ethylphenol
CID 139391838
4-(3-((1H-indazol-5-yl)amino)-1H-pyrazol-5-yl)phenol
CID 139391880
4-((5-(4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl)-1H-pyrazol-3-yl)amino)-3-methylphenol
CID 139391966
4-((5-(4-(1H-pyrazol-1-yl)phenyl)-1H-pyrazol-3-yl)amino)-3-ethylphenol
CID 166594275

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[[5-[4-(1H-pyrazol-4-yl)phenyl]-1H-pyrazol-3-yl]amino]phenol?
The IUPAC name of 3-methyl-4-[[5-[4-(1H-pyrazol-4-yl)phenyl]-1H-pyrazol-3-yl]amino]phenol (CID 139391735) is 3-methyl-4-[[5-[4-(1H-pyrazol-4-yl)phenyl]-1H-pyrazol-3-yl]amino]phenol.
What is the SMILES notation for 3-methyl-4-[[5-[4-(1H-pyrazol-4-yl)phenyl]-1H-pyrazol-3-yl]amino]phenol?
The canonical SMILES for 3-methyl-4-[[5-[4-(1H-pyrazol-4-yl)phenyl]-1H-pyrazol-3-yl]amino]phenol is Cc1cc(O)ccc1Nc1cc(-c2ccc(-c3cn[nH]c3)cc2)[nH]n1.
What is the InChIKey of 3-methyl-4-[[5-[4-(1H-pyrazol-4-yl)phenyl]-1H-pyrazol-3-yl]amino]phenol?
The InChIKey is YFBXYFBWBCADEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O/c1-12-8-16(25)6-7-17(12)22-19-9-18(23-24-19)14-4-2-13(3-5-14)15-10-20-21-11-15/h2-11,25H,1H3,(H,20,21)(H2,22,23,24).
What are the key properties of 3-methyl-4-[[5-[4-(1H-pyrazol-4-yl)phenyl]-1H-pyrazol-3-yl]amino]phenol?
3-methyl-4-[[5-[4-(1H-pyrazol-4-yl)phenyl]-1H-pyrazol-3-yl]amino]phenol has a molecular weight of 331.38 g/mol, XLogP of 4.22, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[[5-[4-(1H-pyrazol-4-yl)phenyl]-1H-pyrazol-3-yl]amino]phenol is sourced from PubChem (CID 139391735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).