N-(3-chloro-4-hydroxyphenyl)-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide

C14H14ClN3O2 — CID 86785947

IUPACN-(3-chloro-4-hydroxyphenyl)-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide
SMILESO=C(Nc1ccc(O)c(Cl)c1)C1CCc2cn[nH]c2C1
InChIInChI=1S/C14H14ClN3O2/c15-11-6-10(3-4-13(11)19)17-14(20)8-1-2-9-7-16-18-12(9)5-8/h3-4,6-8,19H,1-2,5H2,(H,16,18)(H,17,20)
InChIKeyCETCGUZOMSEPGL-UHFFFAOYSA-N
MW291.74 g/mol
LogP2.51
Rot. Bonds2

About N-(3-chloro-4-hydroxyphenyl)-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide

N-(3-chloro-4-hydroxyphenyl)-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide (PubChem CID 86785947) has the molecular formula C14H14ClN3O2 and a molecular weight of 291.74 g/mol. Its IUPAC name is N-(3-chloro-4-hydroxyphenyl)-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-hydroxyphenyl)-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide
PubChem CID86785947
Molecular FormulaC14H14ClN3O2
Molecular Weight291.74 g/mol
Exact Mass291.08
IUPAC NameN-(3-chloro-4-hydroxyphenyl)-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide
SMILESO=C(Nc1ccc(O)c(Cl)c1)C1CCc2cn[nH]c2C1
InChIInChI=1S/C14H14ClN3O2/c15-11-6-10(3-4-13(11)19)17-14(20)8-1-2-9-7-16-18-12(9)5-8/h3-4,6-8,19H,1-2,5H2,(H,16,18)(H,17,20)
InChIKeyCETCGUZOMSEPGL-UHFFFAOYSA-N
XLogP2.51
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-chloro-4-hydroxyphenyl)-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-chloro-4-hydroxyphenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107126932
N-(3-chloro-4-hydroxyphenyl)-5-oxopyrrolidine-2-carboxamide
CID 64787520
(6S)-4,5,6,7-tetrahydro-1H-indazole-6-carboxylic acid
CID 95566509
(6S)-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide
CID 129322075
methyl 4,5,6,7-tetrahydro-1H-indazole-6-carboxylate
CID 54595497
N-(4-bromo-3-chlorophenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107620504
N-[2-(2,6-difluoro-4-hydroxyphenyl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide
CID 136566343
methyl (2S)-2-(3,5-dimethylphenyl)-2-[[(6R)-4,5,6,7-tetrahydro-1H-indazole-6-carbonyl]amino]acetate
CID 124884147
N-(2,4-difluoro-5-methylphenyl)sulfonyl-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide
CID 102559373
(7-chloro-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-[(6S)-4,5,6,7-tetrahydro-1H-indazol-6-yl]methanone
CID 164636885
[2-(2-chlorophenyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-6-yl)methanone
CID 120738143
1-(3-chloro-4-hydroxyphenyl)-3-(3,4-dichlorophenyl)urea
CID 64788304

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-hydroxyphenyl)-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide?
The IUPAC name of N-(3-chloro-4-hydroxyphenyl)-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide (CID 86785947) is N-(3-chloro-4-hydroxyphenyl)-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide.
What is the SMILES notation for N-(3-chloro-4-hydroxyphenyl)-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide?
The canonical SMILES for N-(3-chloro-4-hydroxyphenyl)-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide is O=C(Nc1ccc(O)c(Cl)c1)C1CCc2cn[nH]c2C1.
What is the InChIKey of N-(3-chloro-4-hydroxyphenyl)-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide?
The InChIKey is CETCGUZOMSEPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2/c15-11-6-10(3-4-13(11)19)17-14(20)8-1-2-9-7-16-18-12(9)5-8/h3-4,6-8,19H,1-2,5H2,(H,16,18)(H,17,20).
What are the key properties of N-(3-chloro-4-hydroxyphenyl)-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide?
N-(3-chloro-4-hydroxyphenyl)-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide has a molecular weight of 291.74 g/mol, XLogP of 2.51, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-hydroxyphenyl)-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide is sourced from PubChem (CID 86785947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).