2-[4-[[2-(1-ethylindol-3-yl)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid

C19H22N4O3 — CID 120696950

IUPAC2-[4-[[2-(1-ethylindol-3-yl)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
SMILESCCn1cc(CC(=O)Nc2cnn(C(C)(C)C(=O)O)c2)c2ccccc21
InChIInChI=1S/C19H22N4O3/c1-4-22-11-13(15-7-5-6-8-16(15)22)9-17(24)21-14-10-20-23(12-14)19(2,3)18(25)26/h5-8,10-12H,4,9H2,1-3H3,(H,21,24)(H,25,26)
InChIKeyVIOUSXNUGTXLSU-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.86
Rot. Bonds6

About 2-[4-[[2-(1-ethylindol-3-yl)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid

2-[4-[[2-(1-ethylindol-3-yl)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid (PubChem CID 120696950) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 2-[4-[[2-(1-ethylindol-3-yl)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[4-[[2-(1-ethylindol-3-yl)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
PubChem CID120696950
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name2-[4-[[2-(1-ethylindol-3-yl)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
SMILESCCn1cc(CC(=O)Nc2cnn(C(C)(C)C(=O)O)c2)c2ccccc21
InChIInChI=1S/C19H22N4O3/c1-4-22-11-13(15-7-5-6-8-16(15)22)9-17(24)21-14-10-20-23(12-14)19(2,3)18(25)26/h5-8,10-12H,4,9H2,1-3H3,(H,21,24)(H,25,26)
InChIKeyVIOUSXNUGTXLSU-UHFFFAOYSA-N
XLogP2.86
TPSA89.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-[[2-(1-ethylindol-3-yl)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid with MolForge

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Related Compounds

2-methyl-2-[4-[[2-(1-methylindazol-3-yl)acetyl]amino]pyrazol-1-yl]propanoic acid
CID 122108719
2-[[2-(1-ethylindol-3-yl)acetyl]-methylamino]-2-methylpropanoic acid
CID 119200487
2-methyl-2-[4-[[2-(2-methylphenyl)sulfanylacetyl]amino]pyrazol-1-yl]propanoic acid
CID 120696215
2-[4-[[2-(2,5-difluorophenyl)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696427
N-[4-[3-(dimethylamino)propoxy]phenyl]-2-(1-ethylindol-3-yl)acetamide
CID 86898302
2-[4-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120697609
(2R)-2-[[2-(1-ethylindol-3-yl)acetyl]amino]propanoic acid
CID 119244285
2-methyl-2-[4-[[(2S)-2-phenylpropanoyl]amino]pyrazol-1-yl]propanoic acid
CID 120696756
2-[4-[[2-(2-bromo-5-methoxyphenyl)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696897
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-(1-ethylindol-3-yl)acetamide
CID 71881201
2-methyl-2-[4-(3-propan-2-yloxypropanoylamino)pyrazol-1-yl]propanoic acid
CID 120696798
2-(1-benzylindol-3-yl)-N-[4-(pyridin-3-ylamino)phenyl]acetamide;2,2,2-trifluoroacetic acid
CID 53385174

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(1-ethylindol-3-yl)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid?
The IUPAC name of 2-[4-[[2-(1-ethylindol-3-yl)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid (CID 120696950) is 2-[4-[[2-(1-ethylindol-3-yl)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[4-[[2-(1-ethylindol-3-yl)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid?
The canonical SMILES for 2-[4-[[2-(1-ethylindol-3-yl)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid is CCn1cc(CC(=O)Nc2cnn(C(C)(C)C(=O)O)c2)c2ccccc21.
What is the InChIKey of 2-[4-[[2-(1-ethylindol-3-yl)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid?
The InChIKey is VIOUSXNUGTXLSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-4-22-11-13(15-7-5-6-8-16(15)22)9-17(24)21-14-10-20-23(12-14)19(2,3)18(25)26/h5-8,10-12H,4,9H2,1-3H3,(H,21,24)(H,25,26).
What are the key properties of 2-[4-[[2-(1-ethylindol-3-yl)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid?
2-[4-[[2-(1-ethylindol-3-yl)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid has a molecular weight of 354.41 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(1-ethylindol-3-yl)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid is sourced from PubChem (CID 120696950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).