N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-1-methylindole-2-carboxamide

C19H24N4O — CID 91779007

IUPACN-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-1-methylindole-2-carboxamide
SMILESCCc1c(C)nn(CCNC(=O)c2cc3ccccc3n2C)c1C
InChIInChI=1S/C19H24N4O/c1-5-16-13(2)21-23(14(16)3)11-10-20-19(24)18-12-15-8-6-7-9-17(15)22(18)4/h6-9,12H,5,10-11H2,1-4H3,(H,20,24)
InChIKeyXWVMPVMLAIIYIS-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.98
Rot. Bonds5

About N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-1-methylindole-2-carboxamide

N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-1-methylindole-2-carboxamide (PubChem CID 91779007) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-1-methylindole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-1-methylindole-2-carboxamide
PubChem CID91779007
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC NameN-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-1-methylindole-2-carboxamide
SMILESCCc1c(C)nn(CCNC(=O)c2cc3ccccc3n2C)c1C
InChIInChI=1S/C19H24N4O/c1-5-16-13(2)21-23(14(16)3)11-10-20-19(24)18-12-15-8-6-7-9-17(15)22(18)4/h6-9,12H,5,10-11H2,1-4H3,(H,20,24)
InChIKeyXWVMPVMLAIIYIS-UHFFFAOYSA-N
XLogP2.98
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-((1S)-1-(Aminocarbonyl)-2-methylpropyl)-1-((4-fluorophenyl)methyl)-1H-indazole-3-carboxamide
CID 58124325
Adb-butinaca
CID 155907792
(3H)granisetron
CID 3510
5F-Cumyl-PINACA
CID 86274158
AB-Chminaca
CID 44206133
Granisetron (JAN/USAN/INN)
CID 5284566
AB-Pinaca
CID 71301472
N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-pentyl-1H-indazole-3-carboxamide
CID 86567422
1-(4-cyanobutyl)-N-(2-phenylpropan-2-yl)-1H-indazole-3-carboxamide
CID 117650402
App-butinaca
CID 154735174
5-Fluoro-AB-pinaca, (A+-)-
CID 102144602
Adb-fubinaca
CID 58124399

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-1-methylindole-2-carboxamide?
The IUPAC name of N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-1-methylindole-2-carboxamide (CID 91779007) is N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-1-methylindole-2-carboxamide.
What is the SMILES notation for N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-1-methylindole-2-carboxamide?
The canonical SMILES for N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-1-methylindole-2-carboxamide is CCc1c(C)nn(CCNC(=O)c2cc3ccccc3n2C)c1C.
What is the InChIKey of N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-1-methylindole-2-carboxamide?
The InChIKey is XWVMPVMLAIIYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-5-16-13(2)21-23(14(16)3)11-10-20-19(24)18-12-15-8-6-7-9-17(15)22(18)4/h6-9,12H,5,10-11H2,1-4H3,(H,20,24).
What are the key properties of N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-1-methylindole-2-carboxamide?
N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-1-methylindole-2-carboxamide has a molecular weight of 324.43 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-1-methylindole-2-carboxamide is sourced from PubChem (CID 91779007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).