2,3-dimethyl-N-(4-methyl-1H-pyrazol-5-yl)-1H-indole-5-carboxamide

C15H16N4O — CID 115630320

IUPAC2,3-dimethyl-N-(4-methyl-1H-pyrazol-5-yl)-1H-indole-5-carboxamide
SMILESCc1cn[nH]c1NC(=O)c1ccc2[nH]c(C)c(C)c2c1
InChIInChI=1S/C15H16N4O/c1-8-7-16-19-14(8)18-15(20)11-4-5-13-12(6-11)9(2)10(3)17-13/h4-7,17H,1-3H3,(H2,16,18,19,20)
InChIKeyTZUHMTQIBBQVNF-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.07
Rot. Bonds2

About 2,3-dimethyl-N-(4-methyl-1H-pyrazol-5-yl)-1H-indole-5-carboxamide

2,3-dimethyl-N-(4-methyl-1H-pyrazol-5-yl)-1H-indole-5-carboxamide (PubChem CID 115630320) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 2,3-dimethyl-N-(4-methyl-1H-pyrazol-5-yl)-1H-indole-5-carboxamide.

Molecular Properties

Compound Name2,3-dimethyl-N-(4-methyl-1H-pyrazol-5-yl)-1H-indole-5-carboxamide
PubChem CID115630320
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name2,3-dimethyl-N-(4-methyl-1H-pyrazol-5-yl)-1H-indole-5-carboxamide
SMILESCc1cn[nH]c1NC(=O)c1ccc2[nH]c(C)c(C)c2c1
InChIInChI=1S/C15H16N4O/c1-8-7-16-19-14(8)18-15(20)11-4-5-13-12(6-11)9(2)10(3)17-13/h4-7,17H,1-3H3,(H2,16,18,19,20)
InChIKeyTZUHMTQIBBQVNF-UHFFFAOYSA-N
XLogP3.07
TPSA73.57 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(5-cyclopropyl-1H-pyrazol-4-yl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 146109328
2,3-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1H-indole-5-carboxamide
CID 61021913
4-chloro-N-(4-methyl-1H-pyrazol-5-yl)-3-methylsulfonylbenzamide
CID 115629937
N-(2,5-dimethylpyrazol-3-yl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 23474771
N-(4-methyl-1H-pyrazol-5-yl)-3-methylsulfonylbenzamide
CID 112691143
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
N-(4-methyl-1H-pyrazol-5-yl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 113236962
N-(3-fluorophenyl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 26579048
3-[(2,3-dimethyl-1H-indole-5-carbonyl)amino]benzoic acid
CID 23474692

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-(4-methyl-1H-pyrazol-5-yl)-1H-indole-5-carboxamide?
The IUPAC name of 2,3-dimethyl-N-(4-methyl-1H-pyrazol-5-yl)-1H-indole-5-carboxamide (CID 115630320) is 2,3-dimethyl-N-(4-methyl-1H-pyrazol-5-yl)-1H-indole-5-carboxamide.
What is the SMILES notation for 2,3-dimethyl-N-(4-methyl-1H-pyrazol-5-yl)-1H-indole-5-carboxamide?
The canonical SMILES for 2,3-dimethyl-N-(4-methyl-1H-pyrazol-5-yl)-1H-indole-5-carboxamide is Cc1cn[nH]c1NC(=O)c1ccc2[nH]c(C)c(C)c2c1.
What is the InChIKey of 2,3-dimethyl-N-(4-methyl-1H-pyrazol-5-yl)-1H-indole-5-carboxamide?
The InChIKey is TZUHMTQIBBQVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-8-7-16-19-14(8)18-15(20)11-4-5-13-12(6-11)9(2)10(3)17-13/h4-7,17H,1-3H3,(H2,16,18,19,20).
What are the key properties of 2,3-dimethyl-N-(4-methyl-1H-pyrazol-5-yl)-1H-indole-5-carboxamide?
2,3-dimethyl-N-(4-methyl-1H-pyrazol-5-yl)-1H-indole-5-carboxamide has a molecular weight of 268.32 g/mol, XLogP of 3.07, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-(4-methyl-1H-pyrazol-5-yl)-1H-indole-5-carboxamide is sourced from PubChem (CID 115630320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).