4-[4-(1H-indol-3-yl)butanoylamino]-N,1-dimethylpyrazole-3-carboxamide

C18H21N5O2 — CID 19408905

IUPAC4-[4-(1H-indol-3-yl)butanoylamino]-N,1-dimethylpyrazole-3-carboxamide
SMILESCNC(=O)c1nn(C)cc1NC(=O)CCCc1c[nH]c2ccccc12
InChIInChI=1S/C18H21N5O2/c1-19-18(25)17-15(11-23(2)22-17)21-16(24)9-5-6-12-10-20-14-8-4-3-7-13(12)14/h3-4,7-8,10-11,20H,5-6,9H2,1-2H3,(H,19,25)(H,21,24)
InChIKeyIXQKNSCZXHGSHI-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.22
Rot. Bonds6

About 4-[4-(1H-indol-3-yl)butanoylamino]-N,1-dimethylpyrazole-3-carboxamide

4-[4-(1H-indol-3-yl)butanoylamino]-N,1-dimethylpyrazole-3-carboxamide (PubChem CID 19408905) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 4-[4-(1H-indol-3-yl)butanoylamino]-N,1-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-[4-(1H-indol-3-yl)butanoylamino]-N,1-dimethylpyrazole-3-carboxamide
PubChem CID19408905
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name4-[4-(1H-indol-3-yl)butanoylamino]-N,1-dimethylpyrazole-3-carboxamide
SMILESCNC(=O)c1nn(C)cc1NC(=O)CCCc1c[nH]c2ccccc12
InChIInChI=1S/C18H21N5O2/c1-19-18(25)17-15(11-23(2)22-17)21-16(24)9-5-6-12-10-20-14-8-4-3-7-13(12)14/h3-4,7-8,10-11,20H,5-6,9H2,1-2H3,(H,19,25)(H,21,24)
InChIKeyIXQKNSCZXHGSHI-UHFFFAOYSA-N
XLogP2.22
TPSA91.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1H-indol-3-yl)-N-naphthalen-1-ylbutanamide
CID 26087317
4-[4-(1H-indol-3-yl)butanoylamino]-1-methylpyrazole-5-carboxylic acid
CID 19405981
2-[4-(1H-indol-3-yl)butanoylamino]-N-propylbenzamide
CID 34748373
N'-[4-(1H-indol-3-yl)butanoyl]-3-methyl-4-oxophthalazine-1-carbohydrazide
CID 2580288
N-(3,5-dimethyl-1-propylpyrazol-4-yl)-4-(1H-indol-3-yl)butanamide
CID 134699682
N-(5-chloro-2-hydroxyphenyl)-4-(1H-indol-3-yl)butanamide
CID 55369407
4-(1H-indol-3-yl)-N-isoquinolin-5-ylbutanamide
CID 29371800
4-(1H-indol-3-yl)-N-[1-(methoxymethyl)pyrazol-4-yl]butanamide
CID 19410910
N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-(1H-indol-3-yl)butanamide
CID 162628292
N-[(1-ethylpyrazol-3-yl)methyl]-4-(1H-indol-3-yl)butanamide
CID 19331006
4-(1H-indol-3-yl)-N'-[2-(1H-indol-3-yl)acetyl]butanehydrazide
CID 29437828
N-(2,3-dimethyl-5-sulfamoylphenyl)-4-(1H-indol-3-yl)butanamide
CID 55363866

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1H-indol-3-yl)butanoylamino]-N,1-dimethylpyrazole-3-carboxamide?
The IUPAC name of 4-[4-(1H-indol-3-yl)butanoylamino]-N,1-dimethylpyrazole-3-carboxamide (CID 19408905) is 4-[4-(1H-indol-3-yl)butanoylamino]-N,1-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for 4-[4-(1H-indol-3-yl)butanoylamino]-N,1-dimethylpyrazole-3-carboxamide?
The canonical SMILES for 4-[4-(1H-indol-3-yl)butanoylamino]-N,1-dimethylpyrazole-3-carboxamide is CNC(=O)c1nn(C)cc1NC(=O)CCCc1c[nH]c2ccccc12.
What is the InChIKey of 4-[4-(1H-indol-3-yl)butanoylamino]-N,1-dimethylpyrazole-3-carboxamide?
The InChIKey is IXQKNSCZXHGSHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-19-18(25)17-15(11-23(2)22-17)21-16(24)9-5-6-12-10-20-14-8-4-3-7-13(12)14/h3-4,7-8,10-11,20H,5-6,9H2,1-2H3,(H,19,25)(H,21,24).
What are the key properties of 4-[4-(1H-indol-3-yl)butanoylamino]-N,1-dimethylpyrazole-3-carboxamide?
4-[4-(1H-indol-3-yl)butanoylamino]-N,1-dimethylpyrazole-3-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 2.22, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1H-indol-3-yl)butanoylamino]-N,1-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 19408905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).