4-[4-(1H-indol-3-yl)butanoylamino]-1-methylpyrazole-5-carboxylic acid

C17H18N4O3 — CID 19405981

IUPAC4-[4-(1H-indol-3-yl)butanoylamino]-1-methylpyrazole-5-carboxylic acid
SMILESCn1ncc(NC(=O)CCCc2c[nH]c3ccccc23)c1C(=O)O
InChIInChI=1S/C17H18N4O3/c1-21-16(17(23)24)14(10-19-21)20-15(22)8-4-5-11-9-18-13-7-3-2-6-12(11)13/h2-3,6-7,9-10,18H,4-5,8H2,1H3,(H,20,22)(H,23,24)
InChIKeySVADKSJBRLZHOH-UHFFFAOYSA-N
MW326.36 g/mol
LogP2.56
Rot. Bonds6

About 4-[4-(1H-indol-3-yl)butanoylamino]-1-methylpyrazole-5-carboxylic acid

4-[4-(1H-indol-3-yl)butanoylamino]-1-methylpyrazole-5-carboxylic acid (PubChem CID 19405981) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is 4-[4-(1H-indol-3-yl)butanoylamino]-1-methylpyrazole-5-carboxylic acid.

Molecular Properties

Compound Name4-[4-(1H-indol-3-yl)butanoylamino]-1-methylpyrazole-5-carboxylic acid
PubChem CID19405981
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC Name4-[4-(1H-indol-3-yl)butanoylamino]-1-methylpyrazole-5-carboxylic acid
SMILESCn1ncc(NC(=O)CCCc2c[nH]c3ccccc23)c1C(=O)O
InChIInChI=1S/C17H18N4O3/c1-21-16(17(23)24)14(10-19-21)20-15(22)8-4-5-11-9-18-13-7-3-2-6-12(11)13/h2-3,6-7,9-10,18H,4-5,8H2,1H3,(H,20,22)(H,23,24)
InChIKeySVADKSJBRLZHOH-UHFFFAOYSA-N
XLogP2.56
TPSA100.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 52.56
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]-N,1-dimethylpyrazole-3-carboxamide
CID 19408905
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-(5-chloro-2-hydroxyphenyl)-4-(1H-indol-3-yl)butanamide
CID 55369407
2-[4-(1H-indol-3-yl)butanoylamino]-N-propylbenzamide
CID 34748373
N-(3,5-dimethyl-1-propylpyrazol-4-yl)-4-(1H-indol-3-yl)butanamide
CID 134699682
4-(1H-indol-3-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]butanamide
CID 19397829
4-(1H-indol-3-yl)-N'-[2-(1H-indol-3-yl)acetyl]butanehydrazide
CID 29437828
(2S)-2-[4-(1H-indol-3-yl)butanoylamino]propanoic acid
CID 644229
N-[1-(1-cyclopropylethyl)pyrazol-4-yl]-4-(1H-indol-3-yl)butanamide
CID 126780952

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1H-indol-3-yl)butanoylamino]-1-methylpyrazole-5-carboxylic acid?
The IUPAC name of 4-[4-(1H-indol-3-yl)butanoylamino]-1-methylpyrazole-5-carboxylic acid (CID 19405981) is 4-[4-(1H-indol-3-yl)butanoylamino]-1-methylpyrazole-5-carboxylic acid.
What is the SMILES notation for 4-[4-(1H-indol-3-yl)butanoylamino]-1-methylpyrazole-5-carboxylic acid?
The canonical SMILES for 4-[4-(1H-indol-3-yl)butanoylamino]-1-methylpyrazole-5-carboxylic acid is Cn1ncc(NC(=O)CCCc2c[nH]c3ccccc23)c1C(=O)O.
What is the InChIKey of 4-[4-(1H-indol-3-yl)butanoylamino]-1-methylpyrazole-5-carboxylic acid?
The InChIKey is SVADKSJBRLZHOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c1-21-16(17(23)24)14(10-19-21)20-15(22)8-4-5-11-9-18-13-7-3-2-6-12(11)13/h2-3,6-7,9-10,18H,4-5,8H2,1H3,(H,20,22)(H,23,24).
What are the key properties of 4-[4-(1H-indol-3-yl)butanoylamino]-1-methylpyrazole-5-carboxylic acid?
4-[4-(1H-indol-3-yl)butanoylamino]-1-methylpyrazole-5-carboxylic acid has a molecular weight of 326.36 g/mol, XLogP of 2.56, 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]-1-methylpyrazole-5-carboxylic acid is sourced from PubChem (CID 19405981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).