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

C21H24N4O — CID 175799385

IUPAC3-methyl-4-[[5-(4-piperidin-1-ylphenyl)-1H-pyrazol-3-yl]amino]phenol
SMILESCc1cc(O)ccc1Nc1cc(-c2ccc(N3CCCCC3)cc2)[nH]n1
InChIInChI=1S/C21H24N4O/c1-15-13-18(26)9-10-19(15)22-21-14-20(23-24-21)16-5-7-17(8-6-16)25-11-3-2-4-12-25/h5-10,13-14,26H,2-4,11-12H2,1H3,(H2,22,23,24)
InChIKeyCCBHQGXXXGPMAO-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.82
Rot. Bonds4

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

3-methyl-4-[[5-(4-piperidin-1-ylphenyl)-1H-pyrazol-3-yl]amino]phenol (PubChem CID 175799385) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 3-methyl-4-[[5-(4-piperidin-1-ylphenyl)-1H-pyrazol-3-yl]amino]phenol.

Molecular Properties

Compound Name3-methyl-4-[[5-(4-piperidin-1-ylphenyl)-1H-pyrazol-3-yl]amino]phenol
PubChem CID175799385
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name3-methyl-4-[[5-(4-piperidin-1-ylphenyl)-1H-pyrazol-3-yl]amino]phenol
SMILESCc1cc(O)ccc1Nc1cc(-c2ccc(N3CCCCC3)cc2)[nH]n1
InChIInChI=1S/C21H24N4O/c1-15-13-18(26)9-10-19(15)22-21-14-20(23-24-21)16-5-7-17(8-6-16)25-11-3-2-4-12-25/h5-10,13-14,26H,2-4,11-12H2,1H3,(H2,22,23,24)
InChIKeyCCBHQGXXXGPMAO-UHFFFAOYSA-N
XLogP4.82
TPSA64.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[[5-[4-(4-bromophenyl)phenyl]-1H-pyrazol-3-yl]amino]-3-methylphenol
CID 139405684
4-[[5-(6-chloro-3-pyridinyl)-1H-pyrazol-3-yl]amino]-3-methylphenol
CID 139391743
4-[3-[5-(hydroxymethyl)-2-methylanilino]-1H-pyrazol-5-yl]phenol
CID 139405792
N-[3-methyl-4-[[5-[4-(4-methylpyrazol-1-yl)phenyl]-1H-pyrazol-3-yl]amino]phenyl]acetamide
CID 139405494
ethane;5-(4-pyrrolidin-1-ylphenyl)-3-[3-[5-(4-pyrrolidin-1-ylphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole
CID 144833651
N-(2-methyl-4-nitrophenyl)-5-(4-pyrazol-1-ylphenyl)-1H-pyrazol-3-amine
CID 139392054
2-fluoro-4-[3-(2-fluoro-4-hydroxyanilino)-1H-pyrazol-5-yl]phenol
CID 139391905
6-(azepan-1-yl)-N-(4-bromo-2-methylphenyl)-2-methylpyrimidin-4-amine
CID 112876827
9-(4-hydroxy-2-methylanilino)-7-methyl-2-piperidin-1-ylpyrido[1,2-a]pyrimidin-4-one
CID 71159662
2-(2,4-dimethylanilino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109314728
2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-N-(4-piperidin-1-ylphenyl)acetamide
CID 46555969
4-methyl-N-[5-(4-pyrazol-1-ylphenyl)-1H-pyrazol-3-yl]-1H-benzimidazol-5-amine
CID 139402374

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[[5-(4-piperidin-1-ylphenyl)-1H-pyrazol-3-yl]amino]phenol?
The IUPAC name of 3-methyl-4-[[5-(4-piperidin-1-ylphenyl)-1H-pyrazol-3-yl]amino]phenol (CID 175799385) is 3-methyl-4-[[5-(4-piperidin-1-ylphenyl)-1H-pyrazol-3-yl]amino]phenol.
What is the SMILES notation for 3-methyl-4-[[5-(4-piperidin-1-ylphenyl)-1H-pyrazol-3-yl]amino]phenol?
The canonical SMILES for 3-methyl-4-[[5-(4-piperidin-1-ylphenyl)-1H-pyrazol-3-yl]amino]phenol is Cc1cc(O)ccc1Nc1cc(-c2ccc(N3CCCCC3)cc2)[nH]n1.
What is the InChIKey of 3-methyl-4-[[5-(4-piperidin-1-ylphenyl)-1H-pyrazol-3-yl]amino]phenol?
The InChIKey is CCBHQGXXXGPMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-15-13-18(26)9-10-19(15)22-21-14-20(23-24-21)16-5-7-17(8-6-16)25-11-3-2-4-12-25/h5-10,13-14,26H,2-4,11-12H2,1H3,(H2,22,23,24).
What are the key properties of 3-methyl-4-[[5-(4-piperidin-1-ylphenyl)-1H-pyrazol-3-yl]amino]phenol?
3-methyl-4-[[5-(4-piperidin-1-ylphenyl)-1H-pyrazol-3-yl]amino]phenol has a molecular weight of 348.45 g/mol, XLogP of 4.82, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[[5-(4-piperidin-1-ylphenyl)-1H-pyrazol-3-yl]amino]phenol is sourced from PubChem (CID 175799385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).