2,3-dimethyl-N-(1-methylpyrazol-4-yl)-1H-indole-7-carboxamide

C15H16N4O — CID 32609242

IUPAC2,3-dimethyl-N-(1-methylpyrazol-4-yl)-1H-indole-7-carboxamide
SMILESCc1[nH]c2c(C(=O)Nc3cnn(C)c3)cccc2c1C
InChIInChI=1S/C15H16N4O/c1-9-10(2)17-14-12(9)5-4-6-13(14)15(20)18-11-7-16-19(3)8-11/h4-8,17H,1-3H3,(H,18,20)
InChIKeyAZAFAFUPUREFEO-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.77
Rot. Bonds2

About 2,3-dimethyl-N-(1-methylpyrazol-4-yl)-1H-indole-7-carboxamide

2,3-dimethyl-N-(1-methylpyrazol-4-yl)-1H-indole-7-carboxamide (PubChem CID 32609242) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 2,3-dimethyl-N-(1-methylpyrazol-4-yl)-1H-indole-7-carboxamide.

Molecular Properties

Compound Name2,3-dimethyl-N-(1-methylpyrazol-4-yl)-1H-indole-7-carboxamide
PubChem CID32609242
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name2,3-dimethyl-N-(1-methylpyrazol-4-yl)-1H-indole-7-carboxamide
SMILESCc1[nH]c2c(C(=O)Nc3cnn(C)c3)cccc2c1C
InChIInChI=1S/C15H16N4O/c1-9-10(2)17-14-12(9)5-4-6-13(14)15(20)18-11-7-16-19(3)8-11/h4-8,17H,1-3H3,(H,18,20)
InChIKeyAZAFAFUPUREFEO-UHFFFAOYSA-N
XLogP2.77
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.77
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-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
CID 104615156
2,3-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]-1H-indole-7-carboxamide
CID 86979107
N-(5-bromonaphthalen-2-yl)-2,3-dimethyl-1H-indole-7-carboxamide
CID 146022021
2,5-dimethyl-N-(1-methylpyrazol-4-yl)thiophene-3-carboxamide
CID 32605378
N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-2,3-dimethyl-1H-indole-7-carboxamide
CID 35389393
1-[(2,3-dimethyl-1H-indole-7-carbonyl)amino]-3-methylurea
CID 47383567
(2,3-dimethyl-1H-indol-7-yl)-(4-methylpiperazin-1-yl)methanone
CID 78852296
2,3-dimethyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole-7-carboxamide
CID 78854409
2-methyl-4-(methylamino)-N-(1-methylpyrazol-4-yl)benzamide
CID 113400170
N-(1-methylpyrazol-4-yl)-4-oxo-3H-phthalazine-1-carboxamide
CID 43429946
2-(methylamino)-N-(1-methylpyrazol-4-yl)-3-nitrobenzamide
CID 115936516
4-fluoro-N-(1-methylpyrazol-4-yl)benzamide
CID 60749610

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-(1-methylpyrazol-4-yl)-1H-indole-7-carboxamide?
The IUPAC name of 2,3-dimethyl-N-(1-methylpyrazol-4-yl)-1H-indole-7-carboxamide (CID 32609242) is 2,3-dimethyl-N-(1-methylpyrazol-4-yl)-1H-indole-7-carboxamide.
What is the SMILES notation for 2,3-dimethyl-N-(1-methylpyrazol-4-yl)-1H-indole-7-carboxamide?
The canonical SMILES for 2,3-dimethyl-N-(1-methylpyrazol-4-yl)-1H-indole-7-carboxamide is Cc1[nH]c2c(C(=O)Nc3cnn(C)c3)cccc2c1C.
What is the InChIKey of 2,3-dimethyl-N-(1-methylpyrazol-4-yl)-1H-indole-7-carboxamide?
The InChIKey is AZAFAFUPUREFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-9-10(2)17-14-12(9)5-4-6-13(14)15(20)18-11-7-16-19(3)8-11/h4-8,17H,1-3H3,(H,18,20).
What are the key properties of 2,3-dimethyl-N-(1-methylpyrazol-4-yl)-1H-indole-7-carboxamide?
2,3-dimethyl-N-(1-methylpyrazol-4-yl)-1H-indole-7-carboxamide has a molecular weight of 268.32 g/mol, XLogP of 2.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-(1-methylpyrazol-4-yl)-1H-indole-7-carboxamide is sourced from PubChem (CID 32609242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).