(4R)-N-(2-fluoro-4-hydroxyphenyl)-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide

C14H14FN3O2 — CID 99782658

IUPAC(4R)-N-(2-fluoro-4-hydroxyphenyl)-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
SMILESO=C(Nc1ccc(O)cc1F)[C@@H]1CCCc2[nH]ncc21
InChIInChI=1S/C14H14FN3O2/c15-11-6-8(19)4-5-13(11)17-14(20)9-2-1-3-12-10(9)7-16-18-12/h4-7,9,19H,1-3H2,(H,16,18)(H,17,20)/t9-/m1/s1
InChIKeyQQFDOZKJBYRULX-SECBINFHSA-N
MW275.28 g/mol
LogP2.31
Rot. Bonds2

About (4R)-N-(2-fluoro-4-hydroxyphenyl)-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide

(4R)-N-(2-fluoro-4-hydroxyphenyl)-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide (PubChem CID 99782658) has the molecular formula C14H14FN3O2 and a molecular weight of 275.28 g/mol. Its IUPAC name is (4R)-N-(2-fluoro-4-hydroxyphenyl)-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide.

Molecular Properties

Compound Name(4R)-N-(2-fluoro-4-hydroxyphenyl)-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
PubChem CID99782658
Molecular FormulaC14H14FN3O2
Molecular Weight275.28 g/mol
Exact Mass275.11
IUPAC Name(4R)-N-(2-fluoro-4-hydroxyphenyl)-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
SMILESO=C(Nc1ccc(O)cc1F)[C@@H]1CCCc2[nH]ncc21
InChIInChI=1S/C14H14FN3O2/c15-11-6-8(19)4-5-13(11)17-14(20)9-2-1-3-12-10(9)7-16-18-12/h4-7,9,19H,1-3H2,(H,16,18)(H,17,20)/t9-/m1/s1
InChIKeyQQFDOZKJBYRULX-SECBINFHSA-N
XLogP2.31
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 52.31
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-hydroxy-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
CID 130625748
(4S)-N-(5-ethylsulfonyl-2-hydroxyphenyl)-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
CID 124576290
(4R)-N-[5-(2,3-difluorophenyl)-1H-pyrazol-3-yl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
CID 97010653
N-(5-methoxy-2-methyl-1,3-benzothiazol-6-yl)-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
CID 154839250
N-(2-fluoro-4-hydroxyphenyl)oxane-3-carboxamide
CID 64787080
N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
CID 126766189
4-[(2-fluoro-4-hydroxyphenyl)carbamoyl]piperidine-1-carbonyl fluoride
CID 166385310
methyl (2R)-2-(4-fluorophenyl)-3-[[(4S)-4,5,6,7-tetrahydro-1H-indazole-4-carbonyl]amino]propanoate
CID 124624899
N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
CID 126772649
N-[6-(2-phenylethoxy)-3-pyridinyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
CID 126789214
N-[(2-cyclobutyloxyphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
CID 126795440
1-N,3-N-bis(4-chloro-2-fluorophenyl)cyclohexane-1,3-dicarboxamide
CID 60594428

Frequently Asked Questions

What is the IUPAC name of (4R)-N-(2-fluoro-4-hydroxyphenyl)-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide?
The IUPAC name of (4R)-N-(2-fluoro-4-hydroxyphenyl)-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide (CID 99782658) is (4R)-N-(2-fluoro-4-hydroxyphenyl)-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide.
What is the SMILES notation for (4R)-N-(2-fluoro-4-hydroxyphenyl)-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide?
The canonical SMILES for (4R)-N-(2-fluoro-4-hydroxyphenyl)-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide is O=C(Nc1ccc(O)cc1F)[C@@H]1CCCc2[nH]ncc21.
What is the InChIKey of (4R)-N-(2-fluoro-4-hydroxyphenyl)-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide?
The InChIKey is QQFDOZKJBYRULX-SECBINFHSA-N. The full InChI is InChI=1S/C14H14FN3O2/c15-11-6-8(19)4-5-13(11)17-14(20)9-2-1-3-12-10(9)7-16-18-12/h4-7,9,19H,1-3H2,(H,16,18)(H,17,20)/t9-/m1/s1.
What are the key properties of (4R)-N-(2-fluoro-4-hydroxyphenyl)-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide?
(4R)-N-(2-fluoro-4-hydroxyphenyl)-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide has a molecular weight of 275.28 g/mol, XLogP of 2.31, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-(2-fluoro-4-hydroxyphenyl)-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide is sourced from PubChem (CID 99782658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).