5-amino-N-(3,4-difluorophenyl)-1H-indazole-3-carboxamide

C14H10F2N4O — CID 60905598

IUPAC5-amino-N-(3,4-difluorophenyl)-1H-indazole-3-carboxamide
SMILESNc1ccc2[nH]nc(C(=O)Nc3ccc(F)c(F)c3)c2c1
InChIInChI=1S/C14H10F2N4O/c15-10-3-2-8(6-11(10)16)18-14(21)13-9-5-7(17)1-4-12(9)19-20-13/h1-6H,17H2,(H,18,21)(H,19,20)
InChIKeyCJUOYQXXPQJZBW-UHFFFAOYSA-N
MW288.26 g/mol
LogP2.68
Rot. Bonds2

About 5-amino-N-(3,4-difluorophenyl)-1H-indazole-3-carboxamide

5-amino-N-(3,4-difluorophenyl)-1H-indazole-3-carboxamide (PubChem CID 60905598) has the molecular formula C14H10F2N4O and a molecular weight of 288.26 g/mol. Its IUPAC name is 5-amino-N-(3,4-difluorophenyl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-amino-N-(3,4-difluorophenyl)-1H-indazole-3-carboxamide
PubChem CID60905598
Molecular FormulaC14H10F2N4O
Molecular Weight288.26 g/mol
Exact Mass288.08
IUPAC Name5-amino-N-(3,4-difluorophenyl)-1H-indazole-3-carboxamide
SMILESNc1ccc2[nH]nc(C(=O)Nc3ccc(F)c(F)c3)c2c1
InChIInChI=1S/C14H10F2N4O/c15-10-3-2-8(6-11(10)16)18-14(21)13-9-5-7(17)1-4-12(9)19-20-13/h1-6H,17H2,(H,18,21)(H,19,20)
InChIKeyCJUOYQXXPQJZBW-UHFFFAOYSA-N
XLogP2.68
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-(3-fluoro-4-methylphenyl)-1H-indazole-3-carboxamide
CID 60904871
5-amino-N-(3-hydroxyphenyl)-1H-indazole-3-carboxamide
CID 61165913
5-amino-N-(4-bromo-3-methylphenyl)-1H-indazole-3-carboxamide
CID 60904873
5-amino-N-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide
CID 54944301
5-amino-N-(3-cyanophenyl)-1H-indazole-3-carboxamide
CID 60905939
5-amino-N-(5-fluoro-2-methylphenyl)-1H-indazole-3-carboxamide
CID 60904758
5-amino-N-ethyl-1H-indazole-3-carboxamide
CID 60909138
2-fluoro-5-(1H-indazole-3-carbonylamino)benzoic acid
CID 170858296
5-amino-N-pyridin-2-yl-1H-indazole-3-carboxamide
CID 54944801
5-amino-N-(1-ethylpyrazol-4-yl)-1H-indazole-3-carboxamide
CID 60905133
5-chloro-N-(6-chloro-3-pyridinyl)-1H-indazole-3-carboxamide
CID 11449640
5-amino-N-(thiadiazol-5-yl)-1H-indazole-3-carboxamide
CID 114911484

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3,4-difluorophenyl)-1H-indazole-3-carboxamide?
The IUPAC name of 5-amino-N-(3,4-difluorophenyl)-1H-indazole-3-carboxamide (CID 60905598) is 5-amino-N-(3,4-difluorophenyl)-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-amino-N-(3,4-difluorophenyl)-1H-indazole-3-carboxamide?
The canonical SMILES for 5-amino-N-(3,4-difluorophenyl)-1H-indazole-3-carboxamide is Nc1ccc2[nH]nc(C(=O)Nc3ccc(F)c(F)c3)c2c1.
What is the InChIKey of 5-amino-N-(3,4-difluorophenyl)-1H-indazole-3-carboxamide?
The InChIKey is CJUOYQXXPQJZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N4O/c15-10-3-2-8(6-11(10)16)18-14(21)13-9-5-7(17)1-4-12(9)19-20-13/h1-6H,17H2,(H,18,21)(H,19,20).
What are the key properties of 5-amino-N-(3,4-difluorophenyl)-1H-indazole-3-carboxamide?
5-amino-N-(3,4-difluorophenyl)-1H-indazole-3-carboxamide has a molecular weight of 288.26 g/mol, XLogP of 2.68, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(3,4-difluorophenyl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 60905598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).