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

C23H19N5O2 — CID 137224539

IUPAC4-[5-(4-hydroxyphenyl)-3-(1H-indazol-4-ylmethylamino)-1H-pyrazol-4-yl]phenol
SMILESOc1ccc(-c2[nH]nc(NCc3cccc4[nH]ncc34)c2-c2ccc(O)cc2)cc1
InChIInChI=1S/C23H19N5O2/c29-17-8-4-14(5-9-17)21-22(15-6-10-18(30)11-7-15)27-28-23(21)24-12-16-2-1-3-20-19(16)13-25-26-20/h1-11,13,29-30H,12H2,(H,25,26)(H2,24,27,28)
InChIKeyLPFLWTQGBQVIMT-UHFFFAOYSA-N
MW397.44 g/mol
LogP4.64
Rot. Bonds5

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

4-[5-(4-hydroxyphenyl)-3-(1H-indazol-4-ylmethylamino)-1H-pyrazol-4-yl]phenol (PubChem CID 137224539) has the molecular formula C23H19N5O2 and a molecular weight of 397.44 g/mol. Its IUPAC name is 4-[5-(4-hydroxyphenyl)-3-(1H-indazol-4-ylmethylamino)-1H-pyrazol-4-yl]phenol.

Molecular Properties

Compound Name4-[5-(4-hydroxyphenyl)-3-(1H-indazol-4-ylmethylamino)-1H-pyrazol-4-yl]phenol
PubChem CID137224539
Molecular FormulaC23H19N5O2
Molecular Weight397.44 g/mol
Exact Mass397.15
IUPAC Name4-[5-(4-hydroxyphenyl)-3-(1H-indazol-4-ylmethylamino)-1H-pyrazol-4-yl]phenol
SMILESOc1ccc(-c2[nH]nc(NCc3cccc4[nH]ncc34)c2-c2ccc(O)cc2)cc1
InChIInChI=1S/C23H19N5O2/c29-17-8-4-14(5-9-17)21-22(15-6-10-18(30)11-7-15)27-28-23(21)24-12-16-2-1-3-20-19(16)13-25-26-20/h1-11,13,29-30H,12H2,(H,25,26)(H2,24,27,28)
InChIKeyLPFLWTQGBQVIMT-UHFFFAOYSA-N
XLogP4.64
TPSA109.85 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 54.64
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

4,4'-(5-{[(4-Hydroxyphenyl)methyl]amino}-1h-Pyrazole-3,4-Diyl)diphenol
CID 135567151
1-cyclopropyl-3-[6-(4-hydroxyphenyl)-1H-indazol-3-yl]urea
CID 137661314
US10022376, Example 162
CID 136215166
4-(3-((1H-indazol-5-yl)amino)-1H-pyrazol-5-yl)-2-fluorophenol
CID 139391755
4-[3-(cyclopropylmethylamino)-1H-indazol-6-yl]phenol
CID 137639211
US10022376, Example 124
CID 136215099
US9518052, Example 127
CID 136947887
4-((5-(4-(1H-pyrazol-4-yl)phenyl)-1H-pyrazol-3-yl)amino)-3-methylphenol
CID 139391735
4-((5-(4-(1H-pyrazol-4-yl)phenyl)-1H-pyrazol-3-yl)amino-3-ethylphenol
CID 139391838
4-(3-((1H-indazol-5-yl)amino)-1H-pyrazol-5-yl)phenol
CID 139391880
N-(5-(4-methoxyphenyl)-1H-pyrazol-3-yl)-1H-indazol-5-amine
CID 139392038
4-[5-(4-hydroxyphenyl)-3-(1H-indol-5-ylmethylamino)-1H-pyrazol-4-yl]phenol
CID 137224974

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-hydroxyphenyl)-3-(1H-indazol-4-ylmethylamino)-1H-pyrazol-4-yl]phenol?
The IUPAC name of 4-[5-(4-hydroxyphenyl)-3-(1H-indazol-4-ylmethylamino)-1H-pyrazol-4-yl]phenol (CID 137224539) is 4-[5-(4-hydroxyphenyl)-3-(1H-indazol-4-ylmethylamino)-1H-pyrazol-4-yl]phenol.
What is the SMILES notation for 4-[5-(4-hydroxyphenyl)-3-(1H-indazol-4-ylmethylamino)-1H-pyrazol-4-yl]phenol?
The canonical SMILES for 4-[5-(4-hydroxyphenyl)-3-(1H-indazol-4-ylmethylamino)-1H-pyrazol-4-yl]phenol is Oc1ccc(-c2[nH]nc(NCc3cccc4[nH]ncc34)c2-c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[5-(4-hydroxyphenyl)-3-(1H-indazol-4-ylmethylamino)-1H-pyrazol-4-yl]phenol?
The InChIKey is LPFLWTQGBQVIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O2/c29-17-8-4-14(5-9-17)21-22(15-6-10-18(30)11-7-15)27-28-23(21)24-12-16-2-1-3-20-19(16)13-25-26-20/h1-11,13,29-30H,12H2,(H,25,26)(H2,24,27,28).
What are the key properties of 4-[5-(4-hydroxyphenyl)-3-(1H-indazol-4-ylmethylamino)-1H-pyrazol-4-yl]phenol?
4-[5-(4-hydroxyphenyl)-3-(1H-indazol-4-ylmethylamino)-1H-pyrazol-4-yl]phenol has a molecular weight of 397.44 g/mol, XLogP of 4.64, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-hydroxyphenyl)-3-(1H-indazol-4-ylmethylamino)-1H-pyrazol-4-yl]phenol is sourced from PubChem (CID 137224539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).