2-[3-[[2-(2H-indazol-3-yl)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid

C16H17N5O3 — CID 154740868

IUPAC2-[3-[[2-(2H-indazol-3-yl)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)n1ccc(NC(=O)Cc2[nH]nc3ccccc23)n1
InChIInChI=1S/C16H17N5O3/c1-16(2,15(23)24)21-8-7-13(20-21)17-14(22)9-12-10-5-3-4-6-11(10)18-19-12/h3-8H,9H2,1-2H3,(H,18,19)(H,23,24)(H,17,20,22)
InChIKeyOIFOZSKLODVRKL-UHFFFAOYSA-N
MW327.34 g/mol
LogP1.76
Rot. Bonds5

About 2-[3-[[2-(2H-indazol-3-yl)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid

2-[3-[[2-(2H-indazol-3-yl)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid (PubChem CID 154740868) has the molecular formula C16H17N5O3 and a molecular weight of 327.34 g/mol. Its IUPAC name is 2-[3-[[2-(2H-indazol-3-yl)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[3-[[2-(2H-indazol-3-yl)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
PubChem CID154740868
Molecular FormulaC16H17N5O3
Molecular Weight327.34 g/mol
Exact Mass327.13
IUPAC Name2-[3-[[2-(2H-indazol-3-yl)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)n1ccc(NC(=O)Cc2[nH]nc3ccccc23)n1
InChIInChI=1S/C16H17N5O3/c1-16(2,15(23)24)21-8-7-13(20-21)17-14(22)9-12-10-5-3-4-6-11(10)18-19-12/h3-8H,9H2,1-2H3,(H,18,19)(H,23,24)(H,17,20,22)
InChIKeyOIFOZSKLODVRKL-UHFFFAOYSA-N
XLogP1.76
TPSA112.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-[[2-(2H-indazol-3-yl)acetyl]-methylamino]-2-methylpropanoic acid
CID 119200733
3-[[2-(2H-indazol-3-yl)acetyl]amino]butanoic acid
CID 119221464
(2R)-2-[[2-(2H-indazol-3-yl)acetyl]amino]-3-methylsulfanylpropanoic acid
CID 121494637
4-fluoro-3-[[2-(2H-indazol-3-yl)acetyl]amino]benzoic acid
CID 75497770
(2R)-2-[[2-(2H-indazol-3-yl)acetyl]amino]-3-methylbutanoic acid
CID 119369285
formic acid;2-(2H-indazol-3-yl)-N-(1-propyl-1,2,4-triazol-3-yl)acetamide
CID 163340978
N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-(2H-indazol-3-yl)acetamide
CID 95189916
N-(1-cyclohexyl-1,2,4-triazol-3-yl)-2-(2H-indazol-3-yl)acetamide
CID 154735944
N-(2-aminoethyl)-2-(2H-indazol-3-yl)acetamide;hydrochloride
CID 119384110
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(2H-indazol-3-yl)acetamide;hydrochloride
CID 119574460
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(2H-indazol-3-yl)acetamide;hydrochloride
CID 119599173
N-(3,4-diethyl-1,2-oxazol-5-yl)-2-(2H-indazol-3-yl)acetamide
CID 157011878

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[2-(2H-indazol-3-yl)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid?
The IUPAC name of 2-[3-[[2-(2H-indazol-3-yl)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid (CID 154740868) is 2-[3-[[2-(2H-indazol-3-yl)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[3-[[2-(2H-indazol-3-yl)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid?
The canonical SMILES for 2-[3-[[2-(2H-indazol-3-yl)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid is CC(C)(C(=O)O)n1ccc(NC(=O)Cc2[nH]nc3ccccc23)n1.
What is the InChIKey of 2-[3-[[2-(2H-indazol-3-yl)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid?
The InChIKey is OIFOZSKLODVRKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O3/c1-16(2,15(23)24)21-8-7-13(20-21)17-14(22)9-12-10-5-3-4-6-11(10)18-19-12/h3-8H,9H2,1-2H3,(H,18,19)(H,23,24)(H,17,20,22).
What are the key properties of 2-[3-[[2-(2H-indazol-3-yl)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid?
2-[3-[[2-(2H-indazol-3-yl)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid has a molecular weight of 327.34 g/mol, XLogP of 1.76, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[2-(2H-indazol-3-yl)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid is sourced from PubChem (CID 154740868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).