4-[[[4,5-bis(4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]methyl]phenol

C22H19N3O3 — CID 135567151

IUPAC4-[[[4,5-bis(4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]methyl]phenol
SMILESOc1ccc(CNc2n[nH]c(-c3ccc(O)cc3)c2-c2ccc(O)cc2)cc1
InChIInChI=1S/C22H19N3O3/c26-17-7-1-14(2-8-17)13-23-22-20(15-3-9-18(27)10-4-15)21(24-25-22)16-5-11-19(28)12-6-16/h1-12,26-28H,13H2,(H2,23,24,25)
InChIKeyYRRFETZFOOWFGO-UHFFFAOYSA-N
MW373.41 g/mol
LogP4.47
Rot. Bonds5

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

4-[[[4,5-bis(4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]methyl]phenol (PubChem CID 135567151) has the molecular formula C22H19N3O3 and a molecular weight of 373.41 g/mol. Its IUPAC name is 4-[[[4,5-bis(4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]methyl]phenol.

Molecular Properties

Compound Name4-[[[4,5-bis(4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]methyl]phenol
PubChem CID135567151
Molecular FormulaC22H19N3O3
Molecular Weight373.41 g/mol
Exact Mass373.14
IUPAC Name4-[[[4,5-bis(4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]methyl]phenol
SMILESOc1ccc(CNc2n[nH]c(-c3ccc(O)cc3)c2-c2ccc(O)cc2)cc1
InChIInChI=1S/C22H19N3O3/c26-17-7-1-14(2-8-17)13-23-22-20(15-3-9-18(27)10-4-15)21(24-25-22)16-5-11-19(28)12-6-16/h1-12,26-28H,13H2,(H2,23,24,25)
InChIKeyYRRFETZFOOWFGO-UHFFFAOYSA-N
XLogP4.47
TPSA101.40 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 54.47
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[[4,5-bis(4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]methyl]phenol?
The IUPAC name of 4-[[[4,5-bis(4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]methyl]phenol (CID 135567151) is 4-[[[4,5-bis(4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]methyl]phenol.
What is the SMILES notation for 4-[[[4,5-bis(4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]methyl]phenol?
The canonical SMILES for 4-[[[4,5-bis(4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]methyl]phenol is Oc1ccc(CNc2n[nH]c(-c3ccc(O)cc3)c2-c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[[[4,5-bis(4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]methyl]phenol?
The InChIKey is YRRFETZFOOWFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3/c26-17-7-1-14(2-8-17)13-23-22-20(15-3-9-18(27)10-4-15)21(24-25-22)16-5-11-19(28)12-6-16/h1-12,26-28H,13H2,(H2,23,24,25).
What are the key properties of 4-[[[4,5-bis(4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]methyl]phenol?
4-[[[4,5-bis(4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]methyl]phenol has a molecular weight of 373.41 g/mol, XLogP of 4.47, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[4,5-bis(4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]methyl]phenol is sourced from PubChem (CID 135567151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).