N-methyl-N-(2-methylpropyl)-2-(4-phenyl-1H-pyrazol-5-yl)-1H-indole-6-carboxamide

C23H24N4O — CID 135957039

IUPACN-methyl-N-(2-methylpropyl)-2-(4-phenyl-1H-pyrazol-5-yl)-1H-indole-6-carboxamide
SMILESCC(C)CN(C)C(=O)c1ccc2cc(-c3[nH]ncc3-c3ccccc3)[nH]c2c1
InChIInChI=1S/C23H24N4O/c1-15(2)14-27(3)23(28)18-10-9-17-11-21(25-20(17)12-18)22-19(13-24-26-22)16-7-5-4-6-8-16/h4-13,15,25H,14H2,1-3H3,(H,24,26)
InChIKeyXZHOYHKWBQJJRK-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.95
Rot. Bonds5

About N-methyl-N-(2-methylpropyl)-2-(4-phenyl-1H-pyrazol-5-yl)-1H-indole-6-carboxamide

N-methyl-N-(2-methylpropyl)-2-(4-phenyl-1H-pyrazol-5-yl)-1H-indole-6-carboxamide (PubChem CID 135957039) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is N-methyl-N-(2-methylpropyl)-2-(4-phenyl-1H-pyrazol-5-yl)-1H-indole-6-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(2-methylpropyl)-2-(4-phenyl-1H-pyrazol-5-yl)-1H-indole-6-carboxamide
PubChem CID135957039
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC NameN-methyl-N-(2-methylpropyl)-2-(4-phenyl-1H-pyrazol-5-yl)-1H-indole-6-carboxamide
SMILESCC(C)CN(C)C(=O)c1ccc2cc(-c3[nH]ncc3-c3ccccc3)[nH]c2c1
InChIInChI=1S/C23H24N4O/c1-15(2)14-27(3)23(28)18-10-9-17-11-21(25-20(17)12-18)22-19(13-24-26-22)16-7-5-4-6-8-16/h4-13,15,25H,14H2,1-3H3,(H,24,26)
InChIKeyXZHOYHKWBQJJRK-UHFFFAOYSA-N
XLogP4.95
TPSA64.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylpropyl)-2-(4-phenyl-1H-pyrazol-5-yl)-1H-indole-6-carboxamide?
The IUPAC name of N-methyl-N-(2-methylpropyl)-2-(4-phenyl-1H-pyrazol-5-yl)-1H-indole-6-carboxamide (CID 135957039) is N-methyl-N-(2-methylpropyl)-2-(4-phenyl-1H-pyrazol-5-yl)-1H-indole-6-carboxamide.
What is the SMILES notation for N-methyl-N-(2-methylpropyl)-2-(4-phenyl-1H-pyrazol-5-yl)-1H-indole-6-carboxamide?
The canonical SMILES for N-methyl-N-(2-methylpropyl)-2-(4-phenyl-1H-pyrazol-5-yl)-1H-indole-6-carboxamide is CC(C)CN(C)C(=O)c1ccc2cc(-c3[nH]ncc3-c3ccccc3)[nH]c2c1.
What is the InChIKey of N-methyl-N-(2-methylpropyl)-2-(4-phenyl-1H-pyrazol-5-yl)-1H-indole-6-carboxamide?
The InChIKey is XZHOYHKWBQJJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O/c1-15(2)14-27(3)23(28)18-10-9-17-11-21(25-20(17)12-18)22-19(13-24-26-22)16-7-5-4-6-8-16/h4-13,15,25H,14H2,1-3H3,(H,24,26).
What are the key properties of N-methyl-N-(2-methylpropyl)-2-(4-phenyl-1H-pyrazol-5-yl)-1H-indole-6-carboxamide?
N-methyl-N-(2-methylpropyl)-2-(4-phenyl-1H-pyrazol-5-yl)-1H-indole-6-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 4.95, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylpropyl)-2-(4-phenyl-1H-pyrazol-5-yl)-1H-indole-6-carboxamide is sourced from PubChem (CID 135957039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).