N-(4-hydroxyphenyl)-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)benzamide

C20H19N3O2 — CID 23935930

IUPACN-(4-hydroxyphenyl)-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)benzamide
SMILESO=C(Nc1ccc(O)cc1)c1ccccc1-c1n[nH]c2c1CCCC2
InChIInChI=1S/C20H19N3O2/c24-14-11-9-13(10-12-14)21-20(25)16-6-2-1-5-15(16)19-17-7-3-4-8-18(17)22-23-19/h1-2,5-6,9-12,24H,3-4,7-8H2,(H,21,25)(H,22,23)
InChIKeyJJAPXCNJBDHGQL-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.91
Rot. Bonds3

About N-(4-hydroxyphenyl)-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)benzamide

N-(4-hydroxyphenyl)-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)benzamide (PubChem CID 23935930) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-(4-hydroxyphenyl)-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)benzamide.

Molecular Properties

Compound NameN-(4-hydroxyphenyl)-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)benzamide
PubChem CID23935930
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC NameN-(4-hydroxyphenyl)-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)benzamide
SMILESO=C(Nc1ccc(O)cc1)c1ccccc1-c1n[nH]c2c1CCCC2
InChIInChI=1S/C20H19N3O2/c24-14-11-9-13(10-12-14)21-20(25)16-6-2-1-5-15(16)19-17-7-3-4-8-18(17)22-23-19/h1-2,5-6,9-12,24H,3-4,7-8H2,(H,21,25)(H,22,23)
InChIKeyJJAPXCNJBDHGQL-UHFFFAOYSA-N
XLogP3.91
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)benzamide
CID 2291853
N-(2,3-dichlorophenyl)-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)benzamide
CID 23938464
N-(2-hydroxyethyl)-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)benzamide
CID 23855057
N-(1-adamantyl)-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)benzamide
CID 23819300
N-phenyl-4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole-3-carboxamide
CID 53017362
4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-[3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)phenyl]benzamide
CID 154835042
2-acetyl-N-(4-hydroxyphenyl)benzamide
CID 71011787
N-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 46290599
N-(4-chlorophenyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
CID 20953929
N-(4-hydroxyphenyl)-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 3678676
N-(3,4-difluorophenyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 110428948
N-(2H-benzotriazol-5-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 71918378

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyphenyl)-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)benzamide?
The IUPAC name of N-(4-hydroxyphenyl)-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)benzamide (CID 23935930) is N-(4-hydroxyphenyl)-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)benzamide.
What is the SMILES notation for N-(4-hydroxyphenyl)-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)benzamide?
The canonical SMILES for N-(4-hydroxyphenyl)-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)benzamide is O=C(Nc1ccc(O)cc1)c1ccccc1-c1n[nH]c2c1CCCC2.
What is the InChIKey of N-(4-hydroxyphenyl)-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)benzamide?
The InChIKey is JJAPXCNJBDHGQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c24-14-11-9-13(10-12-14)21-20(25)16-6-2-1-5-15(16)19-17-7-3-4-8-18(17)22-23-19/h1-2,5-6,9-12,24H,3-4,7-8H2,(H,21,25)(H,22,23).
What are the key properties of N-(4-hydroxyphenyl)-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)benzamide?
N-(4-hydroxyphenyl)-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)benzamide has a molecular weight of 333.39 g/mol, XLogP of 3.91, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxyphenyl)-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)benzamide is sourced from PubChem (CID 23935930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).