5-amino-N-(2,2,3,3-tetrafluoropropyl)-1H-indazole-3-carboxamide

C11H10F4N4O — CID 106289149

IUPAC5-amino-N-(2,2,3,3-tetrafluoropropyl)-1H-indazole-3-carboxamide
SMILESNc1ccc2[nH]nc(C(=O)NCC(F)(F)C(F)F)c2c1
InChIInChI=1S/C11H10F4N4O/c12-10(13)11(14,15)4-17-9(20)8-6-3-5(16)1-2-7(6)18-19-8/h1-3,10H,4,16H2,(H,17,20)(H,18,19)
InChIKeyYOJYEIMOOVOKQM-UHFFFAOYSA-N
MW290.22 g/mol
LogP1.78
Rot. Bonds4

About 5-amino-N-(2,2,3,3-tetrafluoropropyl)-1H-indazole-3-carboxamide

5-amino-N-(2,2,3,3-tetrafluoropropyl)-1H-indazole-3-carboxamide (PubChem CID 106289149) has the molecular formula C11H10F4N4O and a molecular weight of 290.22 g/mol. Its IUPAC name is 5-amino-N-(2,2,3,3-tetrafluoropropyl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-amino-N-(2,2,3,3-tetrafluoropropyl)-1H-indazole-3-carboxamide
PubChem CID106289149
Molecular FormulaC11H10F4N4O
Molecular Weight290.22 g/mol
Exact Mass290.08
IUPAC Name5-amino-N-(2,2,3,3-tetrafluoropropyl)-1H-indazole-3-carboxamide
SMILESNc1ccc2[nH]nc(C(=O)NCC(F)(F)C(F)F)c2c1
InChIInChI=1S/C11H10F4N4O/c12-10(13)11(14,15)4-17-9(20)8-6-3-5(16)1-2-7(6)18-19-8/h1-3,10H,4,16H2,(H,17,20)(H,18,19)
InChIKeyYOJYEIMOOVOKQM-UHFFFAOYSA-N
XLogP1.78
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.22
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-(2,2-difluoro-3-hydroxypropyl)-1H-indazole-3-carboxamide
CID 106164289
5-amino-N-ethyl-1H-indazole-3-carboxamide
CID 60909138
5-amino-N-(4-hydroxybutan-2-yl)-1H-indazole-3-carboxamide
CID 83176979
5-amino-N-[3-(hydroxymethyl)pentan-3-yl]-1H-indazole-3-carboxamide
CID 62523247
5-amino-N-[2-(2-hydroxyethoxy)ethyl]-1H-indazole-3-carboxamide
CID 55083677
5-amino-N-[(2S)-1-hydroxybutan-2-yl]-1H-indazole-3-carboxamide
CID 94177019
5-amino-N-(1H-pyrazol-4-ylmethyl)-1H-indazole-3-carboxamide
CID 61141140
N-[2-(4-amino-2-chlorophenyl)-2-methylpropyl]-1H-indazole-3-carboxamide
CID 67545057
5-amino-N-(4-propan-2-yloxybutyl)-1H-indazole-3-carboxamide
CID 106006184
5-amino-N-(3,4-difluorophenyl)-1H-indazole-3-carboxamide
CID 60905598
5-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1H-indazole-3-carboxamide
CID 61140575
5-amino-N-(2,2,3,3-tetramethylcyclopropyl)-1H-indazole-3-carboxamide
CID 79351862

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2,2,3,3-tetrafluoropropyl)-1H-indazole-3-carboxamide?
The IUPAC name of 5-amino-N-(2,2,3,3-tetrafluoropropyl)-1H-indazole-3-carboxamide (CID 106289149) is 5-amino-N-(2,2,3,3-tetrafluoropropyl)-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-amino-N-(2,2,3,3-tetrafluoropropyl)-1H-indazole-3-carboxamide?
The canonical SMILES for 5-amino-N-(2,2,3,3-tetrafluoropropyl)-1H-indazole-3-carboxamide is Nc1ccc2[nH]nc(C(=O)NCC(F)(F)C(F)F)c2c1.
What is the InChIKey of 5-amino-N-(2,2,3,3-tetrafluoropropyl)-1H-indazole-3-carboxamide?
The InChIKey is YOJYEIMOOVOKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F4N4O/c12-10(13)11(14,15)4-17-9(20)8-6-3-5(16)1-2-7(6)18-19-8/h1-3,10H,4,16H2,(H,17,20)(H,18,19).
What are the key properties of 5-amino-N-(2,2,3,3-tetrafluoropropyl)-1H-indazole-3-carboxamide?
5-amino-N-(2,2,3,3-tetrafluoropropyl)-1H-indazole-3-carboxamide has a molecular weight of 290.22 g/mol, XLogP of 1.78, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2,2,3,3-tetrafluoropropyl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 106289149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).