N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

C17H19F2N3O2 — CID 111335461

IUPACN-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESCC(O)(CNC(=O)c1n[nH]c2c1CCCC2)c1ccc(F)cc1F
InChIInChI=1S/C17H19F2N3O2/c1-17(24,12-7-6-10(18)8-13(12)19)9-20-16(23)15-11-4-2-3-5-14(11)21-22-15/h6-8,24H,2-5,9H2,1H3,(H,20,23)(H,21,22)
InChIKeyZMXRAIFQAGXRNX-UHFFFAOYSA-N
MW335.35 g/mol
LogP2.20
Rot. Bonds4

About N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (PubChem CID 111335461) has the molecular formula C17H19F2N3O2 and a molecular weight of 335.35 g/mol. Its IUPAC name is N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
PubChem CID111335461
Molecular FormulaC17H19F2N3O2
Molecular Weight335.35 g/mol
Exact Mass335.14
IUPAC NameN-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESCC(O)(CNC(=O)c1n[nH]c2c1CCCC2)c1ccc(F)cc1F
InChIInChI=1S/C17H19F2N3O2/c1-17(24,12-7-6-10(18)8-13(12)19)9-20-16(23)15-11-4-2-3-5-14(11)21-22-15/h6-8,24H,2-5,9H2,1H3,(H,20,23)(H,21,22)
InChIKeyZMXRAIFQAGXRNX-UHFFFAOYSA-N
XLogP2.20
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.35
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 111335377
N-(2-hydroxy-2-thiophen-3-ylpropyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 111451703
N-(2-ethyl-2-hydroxybutyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 111483509
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-hydroxy-4-methylbenzamide
CID 110014829
N-(2-amino-2-methylpropyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide;hydrochloride
CID 119625986
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-4-[(dimethylamino)methyl]benzamide
CID 111335508
4-acetamido-N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxypropyl]benzamide
CID 96549083
N-(2-ethyl-2-hydroxybutyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 111483508
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-(1H-pyrazol-5-yl)acetamide
CID 111477656
N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxypropyl]-1,3-benzodioxole-5-carboxamide
CID 95320611
1-tert-butyl-N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxypropyl]pyrazole-4-carboxamide
CID 95627810
2-(4-chlorophenyl)-N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]acetamide
CID 111335471

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The IUPAC name of N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (CID 111335461) is N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The canonical SMILES for N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is CC(O)(CNC(=O)c1n[nH]c2c1CCCC2)c1ccc(F)cc1F.
What is the InChIKey of N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The InChIKey is ZMXRAIFQAGXRNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N3O2/c1-17(24,12-7-6-10(18)8-13(12)19)9-20-16(23)15-11-4-2-3-5-14(11)21-22-15/h6-8,24H,2-5,9H2,1H3,(H,20,23)(H,21,22).
What are the key properties of N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide has a molecular weight of 335.35 g/mol, XLogP of 2.20, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 111335461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).