2-methyl-2-[4-[[2-(1-methylindazol-3-yl)acetyl]amino]pyrazol-1-yl]propanoic acid

C17H19N5O3 — CID 122108719

IUPAC2-methyl-2-[4-[[2-(1-methylindazol-3-yl)acetyl]amino]pyrazol-1-yl]propanoic acid
SMILESCn1nc(CC(=O)Nc2cnn(C(C)(C)C(=O)O)c2)c2ccccc21
InChIInChI=1S/C17H19N5O3/c1-17(2,16(24)25)22-10-11(9-18-22)19-15(23)8-13-12-6-4-5-7-14(12)21(3)20-13/h4-7,9-10H,8H2,1-3H3,(H,19,23)(H,24,25)
InChIKeyIBQSMJIXRIIKID-UHFFFAOYSA-N
MW341.37 g/mol
LogP1.77
Rot. Bonds5

About 2-methyl-2-[4-[[2-(1-methylindazol-3-yl)acetyl]amino]pyrazol-1-yl]propanoic acid

2-methyl-2-[4-[[2-(1-methylindazol-3-yl)acetyl]amino]pyrazol-1-yl]propanoic acid (PubChem CID 122108719) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is 2-methyl-2-[4-[[2-(1-methylindazol-3-yl)acetyl]amino]pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[4-[[2-(1-methylindazol-3-yl)acetyl]amino]pyrazol-1-yl]propanoic acid
PubChem CID122108719
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC Name2-methyl-2-[4-[[2-(1-methylindazol-3-yl)acetyl]amino]pyrazol-1-yl]propanoic acid
SMILESCn1nc(CC(=O)Nc2cnn(C(C)(C)C(=O)O)c2)c2ccccc21
InChIInChI=1S/C17H19N5O3/c1-17(2,16(24)25)22-10-11(9-18-22)19-15(23)8-13-12-6-4-5-7-14(12)21(3)20-13/h4-7,9-10H,8H2,1-3H3,(H,19,23)(H,24,25)
InChIKeyIBQSMJIXRIIKID-UHFFFAOYSA-N
XLogP1.77
TPSA102.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[[2-(1-ethylindol-3-yl)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696950
2-(1,2-benzoxazol-3-yl)-N-(1-tert-butylpyrazol-4-yl)acetamide
CID 86860516
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
(2R)-2-[[2-(1-methylindazol-3-yl)acetyl]amino]propanoic acid
CID 122107924
2-methyl-2-[4-[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]pyrazol-1-yl]propanoic acid
CID 120696800
2-[methyl-[2-(1-methylindazol-3-yl)acetyl]amino]acetic acid
CID 122107123
3-methyl-2-[[2-(1-methylindazol-3-yl)acetyl]amino]butanoic acid
CID 122107082
2-(1-methylindazol-3-yl)-N-(6-oxo-1H-pyrimidin-2-yl)acetamide
CID 154877054
2-methyl-2-[4-[[2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetyl]amino]pyrazol-1-yl]propanoic acid
CID 120696565
2-(1-methylindazol-3-yl)acetamide
CID 67465474
2-[4-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120697609

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-[[2-(1-methylindazol-3-yl)acetyl]amino]pyrazol-1-yl]propanoic acid?
The IUPAC name of 2-methyl-2-[4-[[2-(1-methylindazol-3-yl)acetyl]amino]pyrazol-1-yl]propanoic acid (CID 122108719) is 2-methyl-2-[4-[[2-(1-methylindazol-3-yl)acetyl]amino]pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 2-methyl-2-[4-[[2-(1-methylindazol-3-yl)acetyl]amino]pyrazol-1-yl]propanoic acid?
The canonical SMILES for 2-methyl-2-[4-[[2-(1-methylindazol-3-yl)acetyl]amino]pyrazol-1-yl]propanoic acid is Cn1nc(CC(=O)Nc2cnn(C(C)(C)C(=O)O)c2)c2ccccc21.
What is the InChIKey of 2-methyl-2-[4-[[2-(1-methylindazol-3-yl)acetyl]amino]pyrazol-1-yl]propanoic acid?
The InChIKey is IBQSMJIXRIIKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3/c1-17(2,16(24)25)22-10-11(9-18-22)19-15(23)8-13-12-6-4-5-7-14(12)21(3)20-13/h4-7,9-10H,8H2,1-3H3,(H,19,23)(H,24,25).
What are the key properties of 2-methyl-2-[4-[[2-(1-methylindazol-3-yl)acetyl]amino]pyrazol-1-yl]propanoic acid?
2-methyl-2-[4-[[2-(1-methylindazol-3-yl)acetyl]amino]pyrazol-1-yl]propanoic acid has a molecular weight of 341.37 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-[[2-(1-methylindazol-3-yl)acetyl]amino]pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 122108719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).