N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(1H-indol-3-yl)acetamide

C17H20N4O — CID 51077850

IUPACN-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(1H-indol-3-yl)acetamide
SMILESCc1c(C(C)NC(=O)Cc2c[nH]c3ccccc23)cnn1C
InChIInChI=1S/C17H20N4O/c1-11(15-10-19-21(3)12(15)2)20-17(22)8-13-9-18-16-7-5-4-6-14(13)16/h4-7,9-11,18H,8H2,1-3H3,(H,20,22)
InChIKeySPXMLZRWEDHLGL-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.63
Rot. Bonds4

About N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(1H-indol-3-yl)acetamide

N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(1H-indol-3-yl)acetamide (PubChem CID 51077850) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(1H-indol-3-yl)acetamide
PubChem CID51077850
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC NameN-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(1H-indol-3-yl)acetamide
SMILESCc1c(C(C)NC(=O)Cc2c[nH]c3ccccc23)cnn1C
InChIInChI=1S/C17H20N4O/c1-11(15-10-19-21(3)12(15)2)20-17(22)8-13-9-18-16-7-5-4-6-14(13)16/h4-7,9-11,18H,8H2,1-3H3,(H,20,22)
InChIKeySPXMLZRWEDHLGL-UHFFFAOYSA-N
XLogP2.63
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-(1H-indol-3-yl)propanamide
CID 19468867
N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-(1H-indol-3-yl)propanamide
CID 55579208
N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(2-nitrophenyl)acetamide
CID 2225443
2-(1H-indol-3-yl)-N-(1-pyridin-4-ylethyl)acetamide
CID 17427007
2-(1H-indol-3-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 103716224
N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]butanamide
CID 1247509
N-[1-(2,4-difluorophenyl)ethyl]-2-(1H-indol-3-yl)acetamide
CID 51150393
2-(1H-indol-3-yl)-N-[(1S)-1-naphthalen-2-ylethyl]acetamide
CID 40810685
2-(1H-indol-3-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide
CID 63612745
2-(1H-indol-3-yl)-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]acetamide
CID 121176811
N-but-3-yn-2-yl-2-(1H-indol-3-yl)acetamide
CID 114389821
2-[[1-(1,5-dimethylpyrazol-4-yl)ethylamino]methyl]phenol
CID 19627463

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(1H-indol-3-yl)acetamide?
The IUPAC name of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(1H-indol-3-yl)acetamide (CID 51077850) is N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(1H-indol-3-yl)acetamide?
The canonical SMILES for N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(1H-indol-3-yl)acetamide is Cc1c(C(C)NC(=O)Cc2c[nH]c3ccccc23)cnn1C.
What is the InChIKey of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(1H-indol-3-yl)acetamide?
The InChIKey is SPXMLZRWEDHLGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-11(15-10-19-21(3)12(15)2)20-17(22)8-13-9-18-16-7-5-4-6-14(13)16/h4-7,9-11,18H,8H2,1-3H3,(H,20,22).
What are the key properties of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(1H-indol-3-yl)acetamide?
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(1H-indol-3-yl)acetamide has a molecular weight of 296.37 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(1H-indol-3-yl)acetamide is sourced from PubChem (CID 51077850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).