[3-[[5-(4-aminophenyl)-1H-pyrazol-3-yl]amino]-4-methylphenyl]methanol

C17H18N4O — CID 139391804

IUPAC[3-[[5-(4-aminophenyl)-1H-pyrazol-3-yl]amino]-4-methylphenyl]methanol
SMILESCc1ccc(CO)cc1Nc1cc(-c2ccc(N)cc2)[nH]n1
InChIInChI=1S/C17H18N4O/c1-11-2-3-12(10-22)8-15(11)19-17-9-16(20-21-17)13-4-6-14(18)7-5-13/h2-9,22H,10,18H2,1H3,(H2,19,20,21)
InChIKeyJDTZZBQSIZUVHU-UHFFFAOYSA-N
MW294.36 g/mol
LogP3.20
Rot. Bonds4

About [3-[[5-(4-aminophenyl)-1H-pyrazol-3-yl]amino]-4-methylphenyl]methanol

[3-[[5-(4-aminophenyl)-1H-pyrazol-3-yl]amino]-4-methylphenyl]methanol (PubChem CID 139391804) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is [3-[[5-(4-aminophenyl)-1H-pyrazol-3-yl]amino]-4-methylphenyl]methanol.

Molecular Properties

Compound Name[3-[[5-(4-aminophenyl)-1H-pyrazol-3-yl]amino]-4-methylphenyl]methanol
PubChem CID139391804
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name[3-[[5-(4-aminophenyl)-1H-pyrazol-3-yl]amino]-4-methylphenyl]methanol
SMILESCc1ccc(CO)cc1Nc1cc(-c2ccc(N)cc2)[nH]n1
InChIInChI=1S/C17H18N4O/c1-11-2-3-12(10-22)8-15(11)19-17-9-16(20-21-17)13-4-6-14(18)7-5-13/h2-9,22H,10,18H2,1H3,(H2,19,20,21)
InChIKeyJDTZZBQSIZUVHU-UHFFFAOYSA-N
XLogP3.20
TPSA86.96 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 53.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 137641537
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1-[4-(3-amino-1H-indazol-4-yl)phenyl]-1-[2-fluoro-5-(hydroxymethyl)phenyl]urea
CID 69168857
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4-[[5-(4-aminophenyl)-4-fluoro-1H-pyrazol-3-yl]amino]-3-methylphenol
CID 139391741
3-ethyl-4-[[5-[4-(trifluoromethylamino)phenyl]-1H-pyrazol-3-yl]amino]phenol
CID 139405818
[(2S)-2-(4-fluorophenyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]-1H-quinazolin-2-yl]methanol
CID 140235618
1-(4-fluorophenyl)-2-[2-[1-[(5-methyl-1H-pyrazol-3-yl)amino]ethenyl]phenyl]iminopropan-1-ol
CID 144046581
1-[1-[3-(Hydroxymethyl)phenyl]-3-phenylpyrazol-5-yl]-3-[2-methyl-5-(trifluoromethyl)phenyl]urea
CID 162603970
3-ethyl-4-[[4-fluoro-5-(4-methylphenyl)-1H-pyrazol-3-yl]amino]phenol
CID 162730354
[4-[[[1-(3-Fluorophenyl)-5-methylpyrazol-3-yl]amino]methyl]phenyl]methanol
CID 110006773
[4-[[[1-(4-Fluorophenyl)-5-methylpyrazol-3-yl]amino]methyl]phenyl]methanol
CID 110006774

Frequently Asked Questions

What is the IUPAC name of [3-[[5-(4-aminophenyl)-1H-pyrazol-3-yl]amino]-4-methylphenyl]methanol?
The IUPAC name of [3-[[5-(4-aminophenyl)-1H-pyrazol-3-yl]amino]-4-methylphenyl]methanol (CID 139391804) is [3-[[5-(4-aminophenyl)-1H-pyrazol-3-yl]amino]-4-methylphenyl]methanol.
What is the SMILES notation for [3-[[5-(4-aminophenyl)-1H-pyrazol-3-yl]amino]-4-methylphenyl]methanol?
The canonical SMILES for [3-[[5-(4-aminophenyl)-1H-pyrazol-3-yl]amino]-4-methylphenyl]methanol is Cc1ccc(CO)cc1Nc1cc(-c2ccc(N)cc2)[nH]n1.
What is the InChIKey of [3-[[5-(4-aminophenyl)-1H-pyrazol-3-yl]amino]-4-methylphenyl]methanol?
The InChIKey is JDTZZBQSIZUVHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-11-2-3-12(10-22)8-15(11)19-17-9-16(20-21-17)13-4-6-14(18)7-5-13/h2-9,22H,10,18H2,1H3,(H2,19,20,21).
What are the key properties of [3-[[5-(4-aminophenyl)-1H-pyrazol-3-yl]amino]-4-methylphenyl]methanol?
[3-[[5-(4-aminophenyl)-1H-pyrazol-3-yl]amino]-4-methylphenyl]methanol has a molecular weight of 294.36 g/mol, XLogP of 3.20, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[5-(4-aminophenyl)-1H-pyrazol-3-yl]amino]-4-methylphenyl]methanol is sourced from PubChem (CID 139391804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).