4-[3-[4-[[4,6-bis(4-methoxyanilino)-1,3,5-triazin-2-yl]amino]phenyl]-4,5-dihydro-1H-pyrazol-5-yl]phenol

C32H30N8O3 — CID 71493357

IUPAC4-[3-[4-[[4,6-bis(4-methoxyanilino)-1,3,5-triazin-2-yl]amino]phenyl]-4,5-dihydro-1H-pyrazol-5-yl]phenol
SMILESCOc1ccc(Nc2nc(Nc3ccc(OC)cc3)nc(Nc3ccc(C4=NNC(c5ccc(O)cc5)C4)cc3)n2)cc1
InChIInChI=1S/C32H30N8O3/c1-42-26-15-9-23(10-16-26)34-31-36-30(37-32(38-31)35-24-11-17-27(43-2)18-12-24)33-22-7-3-20(4-8-22)28-19-29(40-39-28)21-5-13-25(41)14-6-21/h3-18,29,40-41H,19H2,1-2H3,(H3,33,34,35,36,37,38)
InChIKeyYZOQRYGQVXHLNS-UHFFFAOYSA-N
MW574.65 g/mol
LogP6.26
Rot. Bonds10

About 4-[3-[4-[[4,6-bis(4-methoxyanilino)-1,3,5-triazin-2-yl]amino]phenyl]-4,5-dihydro-1H-pyrazol-5-yl]phenol

4-[3-[4-[[4,6-bis(4-methoxyanilino)-1,3,5-triazin-2-yl]amino]phenyl]-4,5-dihydro-1H-pyrazol-5-yl]phenol (PubChem CID 71493357) has the molecular formula C32H30N8O3 and a molecular weight of 574.65 g/mol. Its IUPAC name is 4-[3-[4-[[4,6-bis(4-methoxyanilino)-1,3,5-triazin-2-yl]amino]phenyl]-4,5-dihydro-1H-pyrazol-5-yl]phenol.

Molecular Properties

Compound Name4-[3-[4-[[4,6-bis(4-methoxyanilino)-1,3,5-triazin-2-yl]amino]phenyl]-4,5-dihydro-1H-pyrazol-5-yl]phenol
PubChem CID71493357
Molecular FormulaC32H30N8O3
Molecular Weight574.65 g/mol
Exact Mass574.24
IUPAC Name4-[3-[4-[[4,6-bis(4-methoxyanilino)-1,3,5-triazin-2-yl]amino]phenyl]-4,5-dihydro-1H-pyrazol-5-yl]phenol
SMILESCOc1ccc(Nc2nc(Nc3ccc(OC)cc3)nc(Nc3ccc(C4=NNC(c5ccc(O)cc5)C4)cc3)n2)cc1
InChIInChI=1S/C32H30N8O3/c1-42-26-15-9-23(10-16-26)34-31-36-30(37-32(38-31)35-24-11-17-27(43-2)18-12-24)33-22-7-3-20(4-8-22)28-19-29(40-39-28)21-5-13-25(41)14-6-21/h3-18,29,40-41H,19H2,1-2H3,(H3,33,34,35,36,37,38)
InChIKeyYZOQRYGQVXHLNS-UHFFFAOYSA-N
XLogP6.26
TPSA137.84 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500574.65
LogP ≤ 56.26
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

Analyze 4-[3-[4-[[4,6-bis(4-methoxyanilino)-1,3,5-triazin-2-yl]amino]phenyl]-4,5-dihydro-1H-pyrazol-5-yl]phenol with MolForge

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Launch Full Analysis

Related Compounds

5-(4-methoxyphenyl)-3-[3-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]-4,5-dihydro-1H-pyrazole
CID 14531319
4-chloro-N-[4-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]benzenesulfonamide
CID 10527153
N-[4-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]-3-[3-[[4-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]sulfamoyl]benzoyl]benzenesulfonamide
CID 10629350
(5S)-3-(4-methoxyphenyl)-5-thiophen-2-yl-4,5-dihydro-1H-pyrazole
CID 40741628
N-[4-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)phenyl]acetamide
CID 53298016
N-[4-[(5S)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl]phenyl]acetamide
CID 95861300
2-[(5S)-5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-methoxyphenol
CID 136670257
methyl 4-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)benzoate
CID 170722121
5-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole
CID 4738355
6-chloro-2-N,4-N-bis(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 23191
5-phenyl-3-(4-propan-2-yloxyphenyl)-4,5-dihydro-1H-pyrazole
CID 3415879
3-(4-methylphenyl)-5-phenyl-4,5-dihydro-1H-pyrazole
CID 14956433

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-[[4,6-bis(4-methoxyanilino)-1,3,5-triazin-2-yl]amino]phenyl]-4,5-dihydro-1H-pyrazol-5-yl]phenol?
The IUPAC name of 4-[3-[4-[[4,6-bis(4-methoxyanilino)-1,3,5-triazin-2-yl]amino]phenyl]-4,5-dihydro-1H-pyrazol-5-yl]phenol (CID 71493357) is 4-[3-[4-[[4,6-bis(4-methoxyanilino)-1,3,5-triazin-2-yl]amino]phenyl]-4,5-dihydro-1H-pyrazol-5-yl]phenol.
What is the SMILES notation for 4-[3-[4-[[4,6-bis(4-methoxyanilino)-1,3,5-triazin-2-yl]amino]phenyl]-4,5-dihydro-1H-pyrazol-5-yl]phenol?
The canonical SMILES for 4-[3-[4-[[4,6-bis(4-methoxyanilino)-1,3,5-triazin-2-yl]amino]phenyl]-4,5-dihydro-1H-pyrazol-5-yl]phenol is COc1ccc(Nc2nc(Nc3ccc(OC)cc3)nc(Nc3ccc(C4=NNC(c5ccc(O)cc5)C4)cc3)n2)cc1.
What is the InChIKey of 4-[3-[4-[[4,6-bis(4-methoxyanilino)-1,3,5-triazin-2-yl]amino]phenyl]-4,5-dihydro-1H-pyrazol-5-yl]phenol?
The InChIKey is YZOQRYGQVXHLNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30N8O3/c1-42-26-15-9-23(10-16-26)34-31-36-30(37-32(38-31)35-24-11-17-27(43-2)18-12-24)33-22-7-3-20(4-8-22)28-19-29(40-39-28)21-5-13-25(41)14-6-21/h3-18,29,40-41H,19H2,1-2H3,(H3,33,34,35,36,37,38).
What are the key properties of 4-[3-[4-[[4,6-bis(4-methoxyanilino)-1,3,5-triazin-2-yl]amino]phenyl]-4,5-dihydro-1H-pyrazol-5-yl]phenol?
4-[3-[4-[[4,6-bis(4-methoxyanilino)-1,3,5-triazin-2-yl]amino]phenyl]-4,5-dihydro-1H-pyrazol-5-yl]phenol has a molecular weight of 574.65 g/mol, XLogP of 6.26, 10 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-[[4,6-bis(4-methoxyanilino)-1,3,5-triazin-2-yl]amino]phenyl]-4,5-dihydro-1H-pyrazol-5-yl]phenol is sourced from PubChem (CID 71493357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).