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

C22H17N3O3 — CID 137225068

IUPACN-[4,5-bis(4-hydroxyphenyl)-1H-pyrazol-3-yl]benzamide
SMILESO=C(Nc1n[nH]c(-c2ccc(O)cc2)c1-c1ccc(O)cc1)c1ccccc1
InChIInChI=1S/C22H17N3O3/c26-17-10-6-14(7-11-17)19-20(15-8-12-18(27)13-9-15)24-25-21(19)23-22(28)16-4-2-1-3-5-16/h1-13,26-27H,(H2,23,24,25,28)
InChIKeyGTEREUPHSJLZKH-UHFFFAOYSA-N
MW371.40 g/mol
LogP4.41
Rot. Bonds4

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

N-[4,5-bis(4-hydroxyphenyl)-1H-pyrazol-3-yl]benzamide (PubChem CID 137225068) has the molecular formula C22H17N3O3 and a molecular weight of 371.40 g/mol. Its IUPAC name is N-[4,5-bis(4-hydroxyphenyl)-1H-pyrazol-3-yl]benzamide.

Molecular Properties

Compound NameN-[4,5-bis(4-hydroxyphenyl)-1H-pyrazol-3-yl]benzamide
PubChem CID137225068
Molecular FormulaC22H17N3O3
Molecular Weight371.40 g/mol
Exact Mass371.13
IUPAC NameN-[4,5-bis(4-hydroxyphenyl)-1H-pyrazol-3-yl]benzamide
SMILESO=C(Nc1n[nH]c(-c2ccc(O)cc2)c1-c1ccc(O)cc1)c1ccccc1
InChIInChI=1S/C22H17N3O3/c26-17-10-6-14(7-11-17)19-20(15-8-12-18(27)13-9-15)24-25-21(19)23-22(28)16-4-2-1-3-5-16/h1-13,26-27H,(H2,23,24,25,28)
InChIKeyGTEREUPHSJLZKH-UHFFFAOYSA-N
XLogP4.41
TPSA98.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 54.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4,5-bis(4-hydroxyphenyl)-1H-pyrazol-3-yl]benzamide?
The IUPAC name of N-[4,5-bis(4-hydroxyphenyl)-1H-pyrazol-3-yl]benzamide (CID 137225068) is N-[4,5-bis(4-hydroxyphenyl)-1H-pyrazol-3-yl]benzamide.
What is the SMILES notation for N-[4,5-bis(4-hydroxyphenyl)-1H-pyrazol-3-yl]benzamide?
The canonical SMILES for N-[4,5-bis(4-hydroxyphenyl)-1H-pyrazol-3-yl]benzamide is O=C(Nc1n[nH]c(-c2ccc(O)cc2)c1-c1ccc(O)cc1)c1ccccc1.
What is the InChIKey of N-[4,5-bis(4-hydroxyphenyl)-1H-pyrazol-3-yl]benzamide?
The InChIKey is GTEREUPHSJLZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O3/c26-17-10-6-14(7-11-17)19-20(15-8-12-18(27)13-9-15)24-25-21(19)23-22(28)16-4-2-1-3-5-16/h1-13,26-27H,(H2,23,24,25,28).
What are the key properties of N-[4,5-bis(4-hydroxyphenyl)-1H-pyrazol-3-yl]benzamide?
N-[4,5-bis(4-hydroxyphenyl)-1H-pyrazol-3-yl]benzamide has a molecular weight of 371.40 g/mol, XLogP of 4.41, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,5-bis(4-hydroxyphenyl)-1H-pyrazol-3-yl]benzamide is sourced from PubChem (CID 137225068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).