N-[4,5-bis(4-hydroxyphenyl)-1H-pyrazol-3-yl]-4-hydroxybenzamide

C22H17N3O4 — CID 137225069

IUPACN-[4,5-bis(4-hydroxyphenyl)-1H-pyrazol-3-yl]-4-hydroxybenzamide
SMILESO=C(Nc1n[nH]c(-c2ccc(O)cc2)c1-c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C22H17N3O4/c26-16-7-1-13(2-8-16)19-20(14-3-9-17(27)10-4-14)24-25-21(19)23-22(29)15-5-11-18(28)12-6-15/h1-12,26-28H,(H2,23,24,25,29)
InChIKeyBHAMVAHCQGEMLD-UHFFFAOYSA-N
MW387.40 g/mol
LogP4.11
Rot. Bonds4

About N-[4,5-bis(4-hydroxyphenyl)-1H-pyrazol-3-yl]-4-hydroxybenzamide

N-[4,5-bis(4-hydroxyphenyl)-1H-pyrazol-3-yl]-4-hydroxybenzamide (PubChem CID 137225069) has the molecular formula C22H17N3O4 and a molecular weight of 387.40 g/mol. Its IUPAC name is N-[4,5-bis(4-hydroxyphenyl)-1H-pyrazol-3-yl]-4-hydroxybenzamide.

Molecular Properties

Compound NameN-[4,5-bis(4-hydroxyphenyl)-1H-pyrazol-3-yl]-4-hydroxybenzamide
PubChem CID137225069
Molecular FormulaC22H17N3O4
Molecular Weight387.40 g/mol
Exact Mass387.12
IUPAC NameN-[4,5-bis(4-hydroxyphenyl)-1H-pyrazol-3-yl]-4-hydroxybenzamide
SMILESO=C(Nc1n[nH]c(-c2ccc(O)cc2)c1-c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C22H17N3O4/c26-16-7-1-13(2-8-16)19-20(14-3-9-17(27)10-4-14)24-25-21(19)23-22(29)15-5-11-18(28)12-6-15/h1-12,26-28H,(H2,23,24,25,29)
InChIKeyBHAMVAHCQGEMLD-UHFFFAOYSA-N
XLogP4.11
TPSA118.47 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.40
LogP ≤ 54.11
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4,5-bis(4-hydroxyphenyl)-1H-pyrazol-3-yl]-4-hydroxybenzamide?
The IUPAC name of N-[4,5-bis(4-hydroxyphenyl)-1H-pyrazol-3-yl]-4-hydroxybenzamide (CID 137225069) is N-[4,5-bis(4-hydroxyphenyl)-1H-pyrazol-3-yl]-4-hydroxybenzamide.
What is the SMILES notation for N-[4,5-bis(4-hydroxyphenyl)-1H-pyrazol-3-yl]-4-hydroxybenzamide?
The canonical SMILES for N-[4,5-bis(4-hydroxyphenyl)-1H-pyrazol-3-yl]-4-hydroxybenzamide is O=C(Nc1n[nH]c(-c2ccc(O)cc2)c1-c1ccc(O)cc1)c1ccc(O)cc1.
What is the InChIKey of N-[4,5-bis(4-hydroxyphenyl)-1H-pyrazol-3-yl]-4-hydroxybenzamide?
The InChIKey is BHAMVAHCQGEMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O4/c26-16-7-1-13(2-8-16)19-20(14-3-9-17(27)10-4-14)24-25-21(19)23-22(29)15-5-11-18(28)12-6-15/h1-12,26-28H,(H2,23,24,25,29).
What are the key properties of N-[4,5-bis(4-hydroxyphenyl)-1H-pyrazol-3-yl]-4-hydroxybenzamide?
N-[4,5-bis(4-hydroxyphenyl)-1H-pyrazol-3-yl]-4-hydroxybenzamide has a molecular weight of 387.40 g/mol, XLogP of 4.11, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,5-bis(4-hydroxyphenyl)-1H-pyrazol-3-yl]-4-hydroxybenzamide is sourced from PubChem (CID 137225069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).