N-(1H-indazol-6-yl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide

C17H20N4O — CID 110698951

IUPACN-(1H-indazol-6-yl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc3cn[nH]c3c2)c(C)n1C(C)C
InChIInChI=1S/C17H20N4O/c1-10(2)21-11(3)7-15(12(21)4)17(22)19-14-6-5-13-9-18-20-16(13)8-14/h5-10H,1-4H3,(H,18,20)(H,19,22)
InChIKeyGLZSOEAWAUPBBD-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.81
Rot. Bonds3

About N-(1H-indazol-6-yl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide

N-(1H-indazol-6-yl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide (PubChem CID 110698951) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is N-(1H-indazol-6-yl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-(1H-indazol-6-yl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
PubChem CID110698951
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC NameN-(1H-indazol-6-yl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc3cn[nH]c3c2)c(C)n1C(C)C
InChIInChI=1S/C17H20N4O/c1-10(2)21-11(3)7-15(12(21)4)17(22)19-14-6-5-13-9-18-20-16(13)8-14/h5-10H,1-4H3,(H,18,20)(H,19,22)
InChIKeyGLZSOEAWAUPBBD-UHFFFAOYSA-N
XLogP3.81
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-3-methylphenyl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
CID 9095989
N-(1H-indazol-6-yl)-2-(propan-2-ylamino)pyridine-3-carboxamide
CID 84574300
4-fluoro-N-(1H-indazol-6-yl)-2-methylbenzamide
CID 115745336
2-fluoro-N-(1H-indazol-6-yl)-5-methylbenzamide
CID 62512997
5-bromo-N-(1H-indazol-6-yl)-2-methylbenzamide
CID 65311641
N-(1H-indazol-6-yl)-3,5-dimethylbenzamide
CID 36560760
N-(2,3-dihydro-1H-inden-5-yl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
CID 8920973
methyl 4-(1H-indazol-6-ylcarbamoyl)benzoate
CID 121088219
N-(1H-indazol-6-yl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 110763744
N-(1H-indazol-6-yl)-2-methyl-1H-benzimidazole-4-carboxamide
CID 110701118
N-(1H-indazol-6-yl)-6-methylpyridazine-3-carboxamide
CID 110705354
N-(1H-indazol-6-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 110684914

Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-6-yl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide?
The IUPAC name of N-(1H-indazol-6-yl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide (CID 110698951) is N-(1H-indazol-6-yl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide.
What is the SMILES notation for N-(1H-indazol-6-yl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide?
The canonical SMILES for N-(1H-indazol-6-yl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide is Cc1cc(C(=O)Nc2ccc3cn[nH]c3c2)c(C)n1C(C)C.
What is the InChIKey of N-(1H-indazol-6-yl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide?
The InChIKey is GLZSOEAWAUPBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-10(2)21-11(3)7-15(12(21)4)17(22)19-14-6-5-13-9-18-20-16(13)8-14/h5-10H,1-4H3,(H,18,20)(H,19,22).
What are the key properties of N-(1H-indazol-6-yl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide?
N-(1H-indazol-6-yl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 3.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-6-yl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide is sourced from PubChem (CID 110698951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).