2-methyl-2-[4-[(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)amino]pyrazol-1-yl]propanoic acid

C15H21N5O3 — CID 120696927

IUPAC2-methyl-2-[4-[(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)amino]pyrazol-1-yl]propanoic acid
SMILESCC(C)c1cc(C(=O)Nc2cnn(C(C)(C)C(=O)O)c2)n(C)n1
InChIInChI=1S/C15H21N5O3/c1-9(2)11-6-12(19(5)18-11)13(21)17-10-7-16-20(8-10)15(3,4)14(22)23/h6-9H,1-5H3,(H,17,21)(H,22,23)
InChIKeyORNKOJMYRXFJPR-UHFFFAOYSA-N
MW319.37 g/mol
LogP1.81
Rot. Bonds5

About 2-methyl-2-[4-[(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)amino]pyrazol-1-yl]propanoic acid

2-methyl-2-[4-[(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)amino]pyrazol-1-yl]propanoic acid (PubChem CID 120696927) has the molecular formula C15H21N5O3 and a molecular weight of 319.37 g/mol. Its IUPAC name is 2-methyl-2-[4-[(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)amino]pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[4-[(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)amino]pyrazol-1-yl]propanoic acid
PubChem CID120696927
Molecular FormulaC15H21N5O3
Molecular Weight319.37 g/mol
Exact Mass319.16
IUPAC Name2-methyl-2-[4-[(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)amino]pyrazol-1-yl]propanoic acid
SMILESCC(C)c1cc(C(=O)Nc2cnn(C(C)(C)C(=O)O)c2)n(C)n1
InChIInChI=1S/C15H21N5O3/c1-9(2)11-6-12(19(5)18-11)13(21)17-10-7-16-20(8-10)15(3,4)14(22)23/h6-9H,1-5H3,(H,17,21)(H,22,23)
InChIKeyORNKOJMYRXFJPR-UHFFFAOYSA-N
XLogP1.81
TPSA102.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-[(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)amino]pyrazol-1-yl]propanoic acid?
The IUPAC name of 2-methyl-2-[4-[(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)amino]pyrazol-1-yl]propanoic acid (CID 120696927) is 2-methyl-2-[4-[(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)amino]pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 2-methyl-2-[4-[(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)amino]pyrazol-1-yl]propanoic acid?
The canonical SMILES for 2-methyl-2-[4-[(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)amino]pyrazol-1-yl]propanoic acid is CC(C)c1cc(C(=O)Nc2cnn(C(C)(C)C(=O)O)c2)n(C)n1.
What is the InChIKey of 2-methyl-2-[4-[(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)amino]pyrazol-1-yl]propanoic acid?
The InChIKey is ORNKOJMYRXFJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O3/c1-9(2)11-6-12(19(5)18-11)13(21)17-10-7-16-20(8-10)15(3,4)14(22)23/h6-9H,1-5H3,(H,17,21)(H,22,23).
What are the key properties of 2-methyl-2-[4-[(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)amino]pyrazol-1-yl]propanoic acid?
2-methyl-2-[4-[(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)amino]pyrazol-1-yl]propanoic acid has a molecular weight of 319.37 g/mol, XLogP of 1.81, 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-[(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)amino]pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 120696927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).