4-[5-(4-hydroxyphenyl)-3-(1H-indol-5-ylmethylamino)-1H-pyrazol-4-yl]phenol

C24H20N4O2 — CID 137224974

IUPAC4-[5-(4-hydroxyphenyl)-3-(1H-indol-5-ylmethylamino)-1H-pyrazol-4-yl]phenol
SMILESOc1ccc(-c2[nH]nc(NCc3ccc4[nH]ccc4c3)c2-c2ccc(O)cc2)cc1
InChIInChI=1S/C24H20N4O2/c29-19-6-2-16(3-7-19)22-23(17-4-8-20(30)9-5-17)27-28-24(22)26-14-15-1-10-21-18(13-15)11-12-25-21/h1-13,25,29-30H,14H2,(H2,26,27,28)
InChIKeyOURIMCZCKGOQEN-UHFFFAOYSA-N
MW396.45 g/mol
LogP5.25
Rot. Bonds5

About 4-[5-(4-hydroxyphenyl)-3-(1H-indol-5-ylmethylamino)-1H-pyrazol-4-yl]phenol

4-[5-(4-hydroxyphenyl)-3-(1H-indol-5-ylmethylamino)-1H-pyrazol-4-yl]phenol (PubChem CID 137224974) has the molecular formula C24H20N4O2 and a molecular weight of 396.45 g/mol. Its IUPAC name is 4-[5-(4-hydroxyphenyl)-3-(1H-indol-5-ylmethylamino)-1H-pyrazol-4-yl]phenol.

Molecular Properties

Compound Name4-[5-(4-hydroxyphenyl)-3-(1H-indol-5-ylmethylamino)-1H-pyrazol-4-yl]phenol
PubChem CID137224974
Molecular FormulaC24H20N4O2
Molecular Weight396.45 g/mol
Exact Mass396.16
IUPAC Name4-[5-(4-hydroxyphenyl)-3-(1H-indol-5-ylmethylamino)-1H-pyrazol-4-yl]phenol
SMILESOc1ccc(-c2[nH]nc(NCc3ccc4[nH]ccc4c3)c2-c2ccc(O)cc2)cc1
InChIInChI=1S/C24H20N4O2/c29-19-6-2-16(3-7-19)22-23(17-4-8-20(30)9-5-17)27-28-24(22)26-14-15-1-10-21-18(13-15)11-12-25-21/h1-13,25,29-30H,14H2,(H2,26,27,28)
InChIKeyOURIMCZCKGOQEN-UHFFFAOYSA-N
XLogP5.25
TPSA96.96 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.45
LogP ≤ 55.25
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-hydroxyphenyl)-3-(1H-indol-5-ylmethylamino)-1H-pyrazol-4-yl]phenol?
The IUPAC name of 4-[5-(4-hydroxyphenyl)-3-(1H-indol-5-ylmethylamino)-1H-pyrazol-4-yl]phenol (CID 137224974) is 4-[5-(4-hydroxyphenyl)-3-(1H-indol-5-ylmethylamino)-1H-pyrazol-4-yl]phenol.
What is the SMILES notation for 4-[5-(4-hydroxyphenyl)-3-(1H-indol-5-ylmethylamino)-1H-pyrazol-4-yl]phenol?
The canonical SMILES for 4-[5-(4-hydroxyphenyl)-3-(1H-indol-5-ylmethylamino)-1H-pyrazol-4-yl]phenol is Oc1ccc(-c2[nH]nc(NCc3ccc4[nH]ccc4c3)c2-c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[5-(4-hydroxyphenyl)-3-(1H-indol-5-ylmethylamino)-1H-pyrazol-4-yl]phenol?
The InChIKey is OURIMCZCKGOQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O2/c29-19-6-2-16(3-7-19)22-23(17-4-8-20(30)9-5-17)27-28-24(22)26-14-15-1-10-21-18(13-15)11-12-25-21/h1-13,25,29-30H,14H2,(H2,26,27,28).
What are the key properties of 4-[5-(4-hydroxyphenyl)-3-(1H-indol-5-ylmethylamino)-1H-pyrazol-4-yl]phenol?
4-[5-(4-hydroxyphenyl)-3-(1H-indol-5-ylmethylamino)-1H-pyrazol-4-yl]phenol has a molecular weight of 396.45 g/mol, XLogP of 5.25, 5 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-hydroxyphenyl)-3-(1H-indol-5-ylmethylamino)-1H-pyrazol-4-yl]phenol is sourced from PubChem (CID 137224974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).