N-(5,6-difluoro-1H-indol-3-yl)-3-(2-methylpyrazol-3-yl)benzamide

C19H14F2N4O — CID 154652719

IUPACN-(5,6-difluoro-1H-indol-3-yl)-3-(2-methylpyrazol-3-yl)benzamide
SMILESCn1nccc1-c1cccc(C(=O)Nc2c[nH]c3cc(F)c(F)cc23)c1
InChIInChI=1S/C19H14F2N4O/c1-25-18(5-6-23-25)11-3-2-4-12(7-11)19(26)24-17-10-22-16-9-15(21)14(20)8-13(16)17/h2-10,22H,1H3,(H,24,26)
InChIKeyGQRPSTVPUDWGOP-UHFFFAOYSA-N
MW352.34 g/mol
LogP4.10
Rot. Bonds3

About N-(5,6-difluoro-1H-indol-3-yl)-3-(2-methylpyrazol-3-yl)benzamide

N-(5,6-difluoro-1H-indol-3-yl)-3-(2-methylpyrazol-3-yl)benzamide (PubChem CID 154652719) has the molecular formula C19H14F2N4O and a molecular weight of 352.34 g/mol. Its IUPAC name is N-(5,6-difluoro-1H-indol-3-yl)-3-(2-methylpyrazol-3-yl)benzamide.

Molecular Properties

Compound NameN-(5,6-difluoro-1H-indol-3-yl)-3-(2-methylpyrazol-3-yl)benzamide
PubChem CID154652719
Molecular FormulaC19H14F2N4O
Molecular Weight352.34 g/mol
Exact Mass352.11
IUPAC NameN-(5,6-difluoro-1H-indol-3-yl)-3-(2-methylpyrazol-3-yl)benzamide
SMILESCn1nccc1-c1cccc(C(=O)Nc2c[nH]c3cc(F)c(F)cc23)c1
InChIInChI=1S/C19H14F2N4O/c1-25-18(5-6-23-25)11-3-2-4-12(7-11)19(26)24-17-10-22-16-9-15(21)14(20)8-13(16)17/h2-10,22H,1H3,(H,24,26)
InChIKeyGQRPSTVPUDWGOP-UHFFFAOYSA-N
XLogP4.10
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.34
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5,6-difluoro-1H-indol-3-yl)-2-(1-hydroxypropyl)pyridine-4-carboxamide
CID 162445208
N-(5,6-difluoro-1H-indol-3-yl)-4-(2-hydroxypropan-2-yl)benzamide
CID 154652693
3-(2-methylpyrazol-3-yl)benzoate
CID 42556015
N-(5,6-difluoro-1H-indol-3-yl)-2-(3-methylphenyl)-1,3-thiazole-4-carboxamide
CID 170195153
N-(5,6-difluoro-1H-indol-3-yl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 162444829
N-(5,6-difluoro-1H-indol-3-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 154652690
3-fluoro-N-(2-methylpyrazol-3-yl)benzamide
CID 110472464
N-(5,6-difluoro-1H-indol-3-yl)-1-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]pyrazole-4-carboxamide
CID 162444806
N-(5,6-difluoro-1H-indol-3-yl)-2-(trifluoromethyl)benzamide
CID 154652721
6-butoxy-N-(5,6-difluoro-1H-indol-3-yl)pyridine-3-carboxamide
CID 170068393
N-(5,6-difluoro-1H-indol-3-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 169016662
N-(5,6-difluoro-1H-indol-3-yl)-1-methyl-5-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide
CID 162444728

Frequently Asked Questions

What is the IUPAC name of N-(5,6-difluoro-1H-indol-3-yl)-3-(2-methylpyrazol-3-yl)benzamide?
The IUPAC name of N-(5,6-difluoro-1H-indol-3-yl)-3-(2-methylpyrazol-3-yl)benzamide (CID 154652719) is N-(5,6-difluoro-1H-indol-3-yl)-3-(2-methylpyrazol-3-yl)benzamide.
What is the SMILES notation for N-(5,6-difluoro-1H-indol-3-yl)-3-(2-methylpyrazol-3-yl)benzamide?
The canonical SMILES for N-(5,6-difluoro-1H-indol-3-yl)-3-(2-methylpyrazol-3-yl)benzamide is Cn1nccc1-c1cccc(C(=O)Nc2c[nH]c3cc(F)c(F)cc23)c1.
What is the InChIKey of N-(5,6-difluoro-1H-indol-3-yl)-3-(2-methylpyrazol-3-yl)benzamide?
The InChIKey is GQRPSTVPUDWGOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N4O/c1-25-18(5-6-23-25)11-3-2-4-12(7-11)19(26)24-17-10-22-16-9-15(21)14(20)8-13(16)17/h2-10,22H,1H3,(H,24,26).
What are the key properties of N-(5,6-difluoro-1H-indol-3-yl)-3-(2-methylpyrazol-3-yl)benzamide?
N-(5,6-difluoro-1H-indol-3-yl)-3-(2-methylpyrazol-3-yl)benzamide has a molecular weight of 352.34 g/mol, XLogP of 4.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-difluoro-1H-indol-3-yl)-3-(2-methylpyrazol-3-yl)benzamide is sourced from PubChem (CID 154652719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).