1-ethyl-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-3-methylpyrazole-4-carboxamide

C19H24N4O2 — CID 604492

IUPAC1-ethyl-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-3-methylpyrazole-4-carboxamide
SMILESCCn1cc(C(=O)NCCc2c(C)[nH]c3ccc(OC)cc23)c(C)n1
InChIInChI=1S/C19H24N4O2/c1-5-23-11-17(13(3)22-23)19(24)20-9-8-15-12(2)21-18-7-6-14(25-4)10-16(15)18/h6-7,10-11,21H,5,8-9H2,1-4H3,(H,20,24)
InChIKeyIOSCJYYJJBILEJ-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.98
Rot. Bonds6

About 1-ethyl-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-3-methylpyrazole-4-carboxamide

1-ethyl-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-3-methylpyrazole-4-carboxamide (PubChem CID 604492) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 1-ethyl-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-3-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-3-methylpyrazole-4-carboxamide
PubChem CID604492
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name1-ethyl-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-3-methylpyrazole-4-carboxamide
SMILESCCn1cc(C(=O)NCCc2c(C)[nH]c3ccc(OC)cc23)c(C)n1
InChIInChI=1S/C19H24N4O2/c1-5-23-11-17(13(3)22-23)19(24)20-9-8-15-12(2)21-18-7-6-14(25-4)10-16(15)18/h6-7,10-11,21H,5,8-9H2,1-4H3,(H,20,24)
InChIKeyIOSCJYYJJBILEJ-UHFFFAOYSA-N
XLogP2.98
TPSA71.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-3-methylpyrazole-4-carboxamide?
The IUPAC name of 1-ethyl-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-3-methylpyrazole-4-carboxamide (CID 604492) is 1-ethyl-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-3-methylpyrazole-4-carboxamide.
What is the SMILES notation for 1-ethyl-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-3-methylpyrazole-4-carboxamide?
The canonical SMILES for 1-ethyl-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-3-methylpyrazole-4-carboxamide is CCn1cc(C(=O)NCCc2c(C)[nH]c3ccc(OC)cc23)c(C)n1.
What is the InChIKey of 1-ethyl-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-3-methylpyrazole-4-carboxamide?
The InChIKey is IOSCJYYJJBILEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-5-23-11-17(13(3)22-23)19(24)20-9-8-15-12(2)21-18-7-6-14(25-4)10-16(15)18/h6-7,10-11,21H,5,8-9H2,1-4H3,(H,20,24).
What are the key properties of 1-ethyl-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-3-methylpyrazole-4-carboxamide?
1-ethyl-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-3-methylpyrazole-4-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-3-methylpyrazole-4-carboxamide is sourced from PubChem (CID 604492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).