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

C18H22N4O — CID 19468867

IUPACN-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-(1H-indol-3-yl)propanamide
SMILESCc1c(C(C)NC(=O)CCc2c[nH]c3ccccc23)cnn1C
InChIInChI=1S/C18H22N4O/c1-12(16-11-20-22(3)13(16)2)21-18(23)9-8-14-10-19-17-7-5-4-6-15(14)17/h4-7,10-12,19H,8-9H2,1-3H3,(H,21,23)
InChIKeyYPDLYICHJHXHPL-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.02
Rot. Bonds5

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

N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-(1H-indol-3-yl)propanamide (PubChem CID 19468867) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound NameN-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-(1H-indol-3-yl)propanamide
PubChem CID19468867
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC NameN-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-(1H-indol-3-yl)propanamide
SMILESCc1c(C(C)NC(=O)CCc2c[nH]c3ccccc23)cnn1C
InChIInChI=1S/C18H22N4O/c1-12(16-11-20-22(3)13(16)2)21-18(23)9-8-14-10-19-17-7-5-4-6-15(14)17/h4-7,10-12,19H,8-9H2,1-3H3,(H,21,23)
InChIKeyYPDLYICHJHXHPL-UHFFFAOYSA-N
XLogP3.02
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(1H-indol-3-yl)acetamide
CID 51077850
N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-(1H-indol-3-yl)propanamide
CID 55579208
3-(1H-indol-3-yl)-N-(1-phenylethyl)propanamide
CID 582677
N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]butanamide
CID 1247509
3-(1H-indol-3-yl)-N-[(1R)-1-thiophen-2-ylethyl]propanamide
CID 41291005
N-[(1R)-1-(furan-2-yl)ethyl]-3-(1H-indol-3-yl)propanamide
CID 41273168
N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-4-(1H-indol-3-yl)butanamide
CID 19462809
N-[1-[4-(dimethylamino)phenyl]ethyl]-3-(1H-indol-3-yl)propanamide
CID 70160592
2-[3-(1H-indol-3-yl)propanoylamino]-N-methylpropanamide
CID 47315730
3-(1H-indol-3-yl)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 4794791
3-(1H-indol-3-yl)-N-(1-methoxypropan-2-yl)propanamide
CID 18074487
4-(1H-indol-3-yl)-N-(1-phenylethyl)butanamide
CID 4806761

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-(1H-indol-3-yl)propanamide?
The IUPAC name of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-(1H-indol-3-yl)propanamide (CID 19468867) is N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-(1H-indol-3-yl)propanamide is Cc1c(C(C)NC(=O)CCc2c[nH]c3ccccc23)cnn1C.
What is the InChIKey of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-(1H-indol-3-yl)propanamide?
The InChIKey is YPDLYICHJHXHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-12(16-11-20-22(3)13(16)2)21-18(23)9-8-14-10-19-17-7-5-4-6-15(14)17/h4-7,10-12,19H,8-9H2,1-3H3,(H,21,23).
What are the key properties of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-(1H-indol-3-yl)propanamide?
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-(1H-indol-3-yl)propanamide has a molecular weight of 310.40 g/mol, XLogP of 3.02, 5 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]-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 19468867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).