1-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]indole-6-carboxamide

C18H22N4O — CID 112530174

IUPAC1-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]indole-6-carboxamide
SMILESCc1nn(C)c(C)c1CCNC(=O)c1ccc2ccn(C)c2c1
InChIInChI=1S/C18H22N4O/c1-12-16(13(2)22(4)20-12)7-9-19-18(23)15-6-5-14-8-10-21(3)17(14)11-15/h5-6,8,10-11H,7,9H2,1-4H3,(H,19,23)
InChIKeyXVZMLLFPSIMIDZ-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.50
Rot. Bonds4

About 1-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]indole-6-carboxamide

1-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]indole-6-carboxamide (PubChem CID 112530174) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]indole-6-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]indole-6-carboxamide
PubChem CID112530174
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name1-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]indole-6-carboxamide
SMILESCc1nn(C)c(C)c1CCNC(=O)c1ccc2ccn(C)c2c1
InChIInChI=1S/C18H22N4O/c1-12-16(13(2)22(4)20-12)7-9-19-18(23)15-6-5-14-8-10-21(3)17(14)11-15/h5-6,8,10-11H,7,9H2,1-4H3,(H,19,23)
InChIKeyXVZMLLFPSIMIDZ-UHFFFAOYSA-N
XLogP2.50
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-methylindole-6-carboxamide
CID 112529886
3-chloro-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide
CID 110442056
4-phenyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide
CID 110717254
3-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide
CID 112530116
3-(dimethylamino)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide
CID 110444418
1-methyl-N-(2-pyridin-3-ylethyl)indole-6-carboxamide
CID 112530368
3,5-dimethoxy-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide
CID 86768030
2,5-dimethyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide
CID 87025021
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylindole-6-carboxamide
CID 112528639
1-methyl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]indole-6-carboxamide
CID 71702523
1-methyl-N-(2-morpholin-4-ylethyl)indole-6-carboxamide
CID 112520338
4-(diethylsulfamoyl)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide
CID 86930090

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]indole-6-carboxamide?
The IUPAC name of 1-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]indole-6-carboxamide (CID 112530174) is 1-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]indole-6-carboxamide.
What is the SMILES notation for 1-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]indole-6-carboxamide?
The canonical SMILES for 1-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]indole-6-carboxamide is Cc1nn(C)c(C)c1CCNC(=O)c1ccc2ccn(C)c2c1.
What is the InChIKey of 1-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]indole-6-carboxamide?
The InChIKey is XVZMLLFPSIMIDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-12-16(13(2)22(4)20-12)7-9-19-18(23)15-6-5-14-8-10-21(3)17(14)11-15/h5-6,8,10-11H,7,9H2,1-4H3,(H,19,23).
What are the key properties of 1-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]indole-6-carboxamide?
1-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]indole-6-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]indole-6-carboxamide is sourced from PubChem (CID 112530174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).