N-[2-(2,6-difluoro-4-hydroxyphenyl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide

C16H17F2N3O2 — CID 136566343

IUPACN-[2-(2,6-difluoro-4-hydroxyphenyl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide
SMILESO=C(NCCc1c(F)cc(O)cc1F)C1CCc2cn[nH]c2C1
InChIInChI=1S/C16H17F2N3O2/c17-13-6-11(22)7-14(18)12(13)3-4-19-16(23)9-1-2-10-8-20-21-15(10)5-9/h6-9,22H,1-5H2,(H,19,23)(H,20,21)
InChIKeyKTJLKNRWRGPOOW-UHFFFAOYSA-N
MW321.33 g/mol
LogP1.86
Rot. Bonds4

About N-[2-(2,6-difluoro-4-hydroxyphenyl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide

N-[2-(2,6-difluoro-4-hydroxyphenyl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide (PubChem CID 136566343) has the molecular formula C16H17F2N3O2 and a molecular weight of 321.33 g/mol. Its IUPAC name is N-[2-(2,6-difluoro-4-hydroxyphenyl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide.

Molecular Properties

Compound NameN-[2-(2,6-difluoro-4-hydroxyphenyl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide
PubChem CID136566343
Molecular FormulaC16H17F2N3O2
Molecular Weight321.33 g/mol
Exact Mass321.13
IUPAC NameN-[2-(2,6-difluoro-4-hydroxyphenyl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide
SMILESO=C(NCCc1c(F)cc(O)cc1F)C1CCc2cn[nH]c2C1
InChIInChI=1S/C16H17F2N3O2/c17-13-6-11(22)7-14(18)12(13)3-4-19-16(23)9-1-2-10-8-20-21-15(10)5-9/h6-9,22H,1-5H2,(H,19,23)(H,20,21)
InChIKeyKTJLKNRWRGPOOW-UHFFFAOYSA-N
XLogP1.86
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[2-(2,6-difluoro-4-hydroxyphenyl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide with MolForge

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Related Compounds

(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
N-(2,4-difluoro-5-methylphenyl)sulfonyl-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide
CID 102559373
methyl 4,5,6,7-tetrahydro-1H-indazole-6-carboxylate
CID 54595497
N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide
CID 120810635
N-(3-chloro-4-hydroxyphenyl)-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide
CID 86785947
N-benzyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide
CID 163295899
methyl (2S)-2-(3,5-dimethylphenyl)-2-[[(6R)-4,5,6,7-tetrahydro-1H-indazole-6-carbonyl]amino]acetate
CID 124884147
N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide
CID 127667649
(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
N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)acetamide
CID 20546780
(5R)-N-(2-acetamidoethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 100662860

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-difluoro-4-hydroxyphenyl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide?
The IUPAC name of N-[2-(2,6-difluoro-4-hydroxyphenyl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide (CID 136566343) is N-[2-(2,6-difluoro-4-hydroxyphenyl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide.
What is the SMILES notation for N-[2-(2,6-difluoro-4-hydroxyphenyl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide?
The canonical SMILES for N-[2-(2,6-difluoro-4-hydroxyphenyl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide is O=C(NCCc1c(F)cc(O)cc1F)C1CCc2cn[nH]c2C1.
What is the InChIKey of N-[2-(2,6-difluoro-4-hydroxyphenyl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide?
The InChIKey is KTJLKNRWRGPOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3O2/c17-13-6-11(22)7-14(18)12(13)3-4-19-16(23)9-1-2-10-8-20-21-15(10)5-9/h6-9,22H,1-5H2,(H,19,23)(H,20,21).
What are the key properties of N-[2-(2,6-difluoro-4-hydroxyphenyl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide?
N-[2-(2,6-difluoro-4-hydroxyphenyl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide has a molecular weight of 321.33 g/mol, XLogP of 1.86, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-difluoro-4-hydroxyphenyl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide is sourced from PubChem (CID 136566343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).