(5R)-N-[3-(hydroxymethyl)phenyl]-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide

C16H16F3N3O2 — CID 97249072

IUPAC(5R)-N-[3-(hydroxymethyl)phenyl]-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide
SMILESO=C(Nc1cccc(CO)c1)[C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1
InChIInChI=1S/C16H16F3N3O2/c17-16(18,19)14-12-7-10(4-5-13(12)21-22-14)15(24)20-11-3-1-2-9(6-11)8-23/h1-3,6,10,23H,4-5,7-8H2,(H,20,24)(H,21,22)/t10-/m1/s1
InChIKeyIQKXWFCATPEEHT-SNVBAGLBSA-N
MW339.32 g/mol
LogP2.66
Rot. Bonds3

About (5R)-N-[3-(hydroxymethyl)phenyl]-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide

(5R)-N-[3-(hydroxymethyl)phenyl]-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide (PubChem CID 97249072) has the molecular formula C16H16F3N3O2 and a molecular weight of 339.32 g/mol. Its IUPAC name is (5R)-N-[3-(hydroxymethyl)phenyl]-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name(5R)-N-[3-(hydroxymethyl)phenyl]-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide
PubChem CID97249072
Molecular FormulaC16H16F3N3O2
Molecular Weight339.32 g/mol
Exact Mass339.12
IUPAC Name(5R)-N-[3-(hydroxymethyl)phenyl]-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide
SMILESO=C(Nc1cccc(CO)c1)[C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1
InChIInChI=1S/C16H16F3N3O2/c17-16(18,19)14-12-7-10(4-5-13(12)21-22-14)15(24)20-11-3-1-2-9(6-11)8-23/h1-3,6,10,23H,4-5,7-8H2,(H,20,24)(H,21,22)/t10-/m1/s1
InChIKeyIQKXWFCATPEEHT-SNVBAGLBSA-N
XLogP2.66
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(5S)-N-(1H-benzimidazol-2-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide
CID 124594422
N-(5-cyano-1,3-thiazol-2-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide
CID 167958493
(5S)-N-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide
CID 99617269
[2-(2,4-dimethylanilino)-2-oxoethyl] (5S)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate
CID 97260866
5-N-(3-chlorophenyl)-3-N-ethyl-3-N-methoxy-4,5,6,7-tetrahydro-1H-indazole-3,5-dicarboxamide
CID 138735934
N-[3-(2,2,2-trifluoroethyl)phenyl]piperidine-4-carboxamide
CID 119333866
N-[3-(hydroxymethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 111116064
(2S)-N-[3-(hydroxymethyl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 61179485
methyl 2-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carbonyl]-2-azaspiro[3.3]heptane-6-carboxylate
CID 155958882
3-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]benzene-1,3-dicarboxamide
CID 46569381
N-phenyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203609
N-[3-(hydroxymethyl)phenyl]azepane-2-carboxamide
CID 64561657

Frequently Asked Questions

What is the IUPAC name of (5R)-N-[3-(hydroxymethyl)phenyl]-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide?
The IUPAC name of (5R)-N-[3-(hydroxymethyl)phenyl]-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide (CID 97249072) is (5R)-N-[3-(hydroxymethyl)phenyl]-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide.
What is the SMILES notation for (5R)-N-[3-(hydroxymethyl)phenyl]-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide?
The canonical SMILES for (5R)-N-[3-(hydroxymethyl)phenyl]-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide is O=C(Nc1cccc(CO)c1)[C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1.
What is the InChIKey of (5R)-N-[3-(hydroxymethyl)phenyl]-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide?
The InChIKey is IQKXWFCATPEEHT-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H16F3N3O2/c17-16(18,19)14-12-7-10(4-5-13(12)21-22-14)15(24)20-11-3-1-2-9(6-11)8-23/h1-3,6,10,23H,4-5,7-8H2,(H,20,24)(H,21,22)/t10-/m1/s1.
What are the key properties of (5R)-N-[3-(hydroxymethyl)phenyl]-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide?
(5R)-N-[3-(hydroxymethyl)phenyl]-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide has a molecular weight of 339.32 g/mol, XLogP of 2.66, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N-[3-(hydroxymethyl)phenyl]-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide is sourced from PubChem (CID 97249072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).