2-methyl-2-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]pentanoic acid

C14H23N3O3 — CID 119192382

IUPAC2-methyl-2-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]pentanoic acid
SMILESCCCC(C)(NC(=O)c1cc(C(C)C)n(C)n1)C(=O)O
InChIInChI=1S/C14H23N3O3/c1-6-7-14(4,13(19)20)15-12(18)10-8-11(9(2)3)17(5)16-10/h8-9H,6-7H2,1-5H3,(H,15,18)(H,19,20)
InChIKeyDKVYUDHSVQXMHO-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.92
Rot. Bonds6

About 2-methyl-2-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]pentanoic acid

2-methyl-2-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]pentanoic acid (PubChem CID 119192382) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-methyl-2-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name2-methyl-2-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]pentanoic acid
PubChem CID119192382
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name2-methyl-2-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]pentanoic acid
SMILESCCCC(C)(NC(=O)c1cc(C(C)C)n(C)n1)C(=O)O
InChIInChI=1S/C14H23N3O3/c1-6-7-14(4,13(19)20)15-12(18)10-8-11(9(2)3)17(5)16-10/h8-9H,6-7H2,1-5H3,(H,15,18)(H,19,20)
InChIKeyDKVYUDHSVQXMHO-UHFFFAOYSA-N
XLogP1.92
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]pentanoic acid?
The IUPAC name of 2-methyl-2-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]pentanoic acid (CID 119192382) is 2-methyl-2-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 2-methyl-2-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]pentanoic acid?
The canonical SMILES for 2-methyl-2-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]pentanoic acid is CCCC(C)(NC(=O)c1cc(C(C)C)n(C)n1)C(=O)O.
What is the InChIKey of 2-methyl-2-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]pentanoic acid?
The InChIKey is DKVYUDHSVQXMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-6-7-14(4,13(19)20)15-12(18)10-8-11(9(2)3)17(5)16-10/h8-9H,6-7H2,1-5H3,(H,15,18)(H,19,20).
What are the key properties of 2-methyl-2-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]pentanoic acid?
2-methyl-2-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]pentanoic acid has a molecular weight of 281.36 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 119192382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).