N-(2,5-dimethylpyrazol-3-yl)-2,3-dimethyl-1H-indole-5-carboxamide

C16H18N4O — CID 23474771

IUPACN-(2,5-dimethylpyrazol-3-yl)-2,3-dimethyl-1H-indole-5-carboxamide
SMILESCc1cc(NC(=O)c2ccc3[nH]c(C)c(C)c3c2)n(C)n1
InChIInChI=1S/C16H18N4O/c1-9-7-15(20(4)19-9)18-16(21)12-5-6-14-13(8-12)10(2)11(3)17-14/h5-8,17H,1-4H3,(H,18,21)
InChIKeyXBBKLBVPZDKJNR-UHFFFAOYSA-N
MW282.35 g/mol
LogP3.08
Rot. Bonds2

About N-(2,5-dimethylpyrazol-3-yl)-2,3-dimethyl-1H-indole-5-carboxamide

N-(2,5-dimethylpyrazol-3-yl)-2,3-dimethyl-1H-indole-5-carboxamide (PubChem CID 23474771) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is N-(2,5-dimethylpyrazol-3-yl)-2,3-dimethyl-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylpyrazol-3-yl)-2,3-dimethyl-1H-indole-5-carboxamide
PubChem CID23474771
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC NameN-(2,5-dimethylpyrazol-3-yl)-2,3-dimethyl-1H-indole-5-carboxamide
SMILESCc1cc(NC(=O)c2ccc3[nH]c(C)c(C)c3c2)n(C)n1
InChIInChI=1S/C16H18N4O/c1-9-7-15(20(4)19-9)18-16(21)12-5-6-14-13(8-12)10(2)11(3)17-14/h5-8,17H,1-4H3,(H,18,21)
InChIKeyXBBKLBVPZDKJNR-UHFFFAOYSA-N
XLogP3.08
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 43073972
2,3-dimethyl-N-(4-methyl-1H-pyrazol-5-yl)-1H-indole-5-carboxamide
CID 115630320
4-amino-N-(2,5-dimethylpyrazol-3-yl)-3-methylbenzamide
CID 16784587
4-tert-butyl-N-(2,5-dimethylpyrazol-3-yl)benzamide
CID 10038843
N-(2,5-dimethylpyrazol-3-yl)-1H-indazole-6-carboxamide
CID 62907185
N-(2,5-dimethylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104614459
N-(2-iodophenyl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 26581665
N',N',2,3-tetramethyl-1H-indole-5-carbohydrazide
CID 78911937
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 17446454
N-(6-bromo-2-pyridinyl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 43520459
methyl 2,3-dimethyl-1H-indole-5-carboxylate
CID 11344717
N-(2,5-dimethylpyrazol-3-yl)-3,4-diethoxybenzamide
CID 35291217

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-2,3-dimethyl-1H-indole-5-carboxamide?
The IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-2,3-dimethyl-1H-indole-5-carboxamide (CID 23474771) is N-(2,5-dimethylpyrazol-3-yl)-2,3-dimethyl-1H-indole-5-carboxamide.
What is the SMILES notation for N-(2,5-dimethylpyrazol-3-yl)-2,3-dimethyl-1H-indole-5-carboxamide?
The canonical SMILES for N-(2,5-dimethylpyrazol-3-yl)-2,3-dimethyl-1H-indole-5-carboxamide is Cc1cc(NC(=O)c2ccc3[nH]c(C)c(C)c3c2)n(C)n1.
What is the InChIKey of N-(2,5-dimethylpyrazol-3-yl)-2,3-dimethyl-1H-indole-5-carboxamide?
The InChIKey is XBBKLBVPZDKJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-9-7-15(20(4)19-9)18-16(21)12-5-6-14-13(8-12)10(2)11(3)17-14/h5-8,17H,1-4H3,(H,18,21).
What are the key properties of N-(2,5-dimethylpyrazol-3-yl)-2,3-dimethyl-1H-indole-5-carboxamide?
N-(2,5-dimethylpyrazol-3-yl)-2,3-dimethyl-1H-indole-5-carboxamide has a molecular weight of 282.35 g/mol, XLogP of 3.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylpyrazol-3-yl)-2,3-dimethyl-1H-indole-5-carboxamide is sourced from PubChem (CID 23474771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).