N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1H-indole-3-carboxamide

C16H18N4O — CID 115888739

IUPACN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1H-indole-3-carboxamide
SMILESCCc1nn(C)cc1CNC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C16H18N4O/c1-3-14-11(10-20(2)19-14)8-18-16(21)13-9-17-15-7-5-4-6-12(13)15/h4-7,9-10,17H,3,8H2,1-2H3,(H,18,21)
InChIKeyYWOOBAKJVYQGPE-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.39
Rot. Bonds4

About N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1H-indole-3-carboxamide

N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1H-indole-3-carboxamide (PubChem CID 115888739) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1H-indole-3-carboxamide
PubChem CID115888739
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC NameN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1H-indole-3-carboxamide
SMILESCCc1nn(C)cc1CNC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C16H18N4O/c1-3-14-11(10-20(2)19-14)8-18-16(21)13-9-17-15-7-5-4-6-12(13)15/h4-7,9-10,17H,3,8H2,1-2H3,(H,18,21)
InChIKeyYWOOBAKJVYQGPE-UHFFFAOYSA-N
XLogP2.39
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 103896434
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-fluoro-3-methylbenzamide
CID 115887147
2-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methylbenzamide
CID 115988891
N-[(1-methylpyrrol-2-yl)methyl]-1H-indole-3-carboxamide
CID 103713461
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-hydroxypyridine-4-carboxamide
CID 112550399
2,6-dichloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide
CID 103898822
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-hydrazinylpyridine-4-carboxamide
CID 105072426
5-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoyl]thiophene-2-carboxylic acid
CID 115991451
2-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-methylbenzamide
CID 115988916
5-bromo-2-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]benzamide
CID 115887129
4-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyridine-2-carboxamide
CID 112671937
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1H-indole-5-carboxamide
CID 115887135

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1H-indole-3-carboxamide?
The IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1H-indole-3-carboxamide (CID 115888739) is N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1H-indole-3-carboxamide.
What is the SMILES notation for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1H-indole-3-carboxamide?
The canonical SMILES for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1H-indole-3-carboxamide is CCc1nn(C)cc1CNC(=O)c1c[nH]c2ccccc12.
What is the InChIKey of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1H-indole-3-carboxamide?
The InChIKey is YWOOBAKJVYQGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-3-14-11(10-20(2)19-14)8-18-16(21)13-9-17-15-7-5-4-6-12(13)15/h4-7,9-10,17H,3,8H2,1-2H3,(H,18,21).
What are the key properties of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1H-indole-3-carboxamide?
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1H-indole-3-carboxamide has a molecular weight of 282.35 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1H-indole-3-carboxamide is sourced from PubChem (CID 115888739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).