2-[cyclopropyl-(5-methyl-2-pentan-3-ylpyrazole-3-carbonyl)amino]propanoic acid

C16H25N3O3 — CID 122067570

IUPAC2-[cyclopropyl-(5-methyl-2-pentan-3-ylpyrazole-3-carbonyl)amino]propanoic acid
SMILESCCC(CC)n1nc(C)cc1C(=O)N(C1CC1)C(C)C(=O)O
InChIInChI=1S/C16H25N3O3/c1-5-12(6-2)19-14(9-10(3)17-19)15(20)18(13-7-8-13)11(4)16(21)22/h9,11-13H,5-8H2,1-4H3,(H,21,22)
InChIKeyISLRGQWUKDTLNG-UHFFFAOYSA-N
MW307.39 g/mol
LogP2.63
Rot. Bonds7

About 2-[cyclopropyl-(5-methyl-2-pentan-3-ylpyrazole-3-carbonyl)amino]propanoic acid

2-[cyclopropyl-(5-methyl-2-pentan-3-ylpyrazole-3-carbonyl)amino]propanoic acid (PubChem CID 122067570) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is 2-[cyclopropyl-(5-methyl-2-pentan-3-ylpyrazole-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[cyclopropyl-(5-methyl-2-pentan-3-ylpyrazole-3-carbonyl)amino]propanoic acid
PubChem CID122067570
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name2-[cyclopropyl-(5-methyl-2-pentan-3-ylpyrazole-3-carbonyl)amino]propanoic acid
SMILESCCC(CC)n1nc(C)cc1C(=O)N(C1CC1)C(C)C(=O)O
InChIInChI=1S/C16H25N3O3/c1-5-12(6-2)19-14(9-10(3)17-19)15(20)18(13-7-8-13)11(4)16(21)22/h9,11-13H,5-8H2,1-4H3,(H,21,22)
InChIKeyISLRGQWUKDTLNG-UHFFFAOYSA-N
XLogP2.63
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-(5-methyl-2-pentan-3-ylpyrazole-3-carbonyl)amino]propanoic acid?
The IUPAC name of 2-[cyclopropyl-(5-methyl-2-pentan-3-ylpyrazole-3-carbonyl)amino]propanoic acid (CID 122067570) is 2-[cyclopropyl-(5-methyl-2-pentan-3-ylpyrazole-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-[cyclopropyl-(5-methyl-2-pentan-3-ylpyrazole-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-[cyclopropyl-(5-methyl-2-pentan-3-ylpyrazole-3-carbonyl)amino]propanoic acid is CCC(CC)n1nc(C)cc1C(=O)N(C1CC1)C(C)C(=O)O.
What is the InChIKey of 2-[cyclopropyl-(5-methyl-2-pentan-3-ylpyrazole-3-carbonyl)amino]propanoic acid?
The InChIKey is ISLRGQWUKDTLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-5-12(6-2)19-14(9-10(3)17-19)15(20)18(13-7-8-13)11(4)16(21)22/h9,11-13H,5-8H2,1-4H3,(H,21,22).
What are the key properties of 2-[cyclopropyl-(5-methyl-2-pentan-3-ylpyrazole-3-carbonyl)amino]propanoic acid?
2-[cyclopropyl-(5-methyl-2-pentan-3-ylpyrazole-3-carbonyl)amino]propanoic acid has a molecular weight of 307.39 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-(5-methyl-2-pentan-3-ylpyrazole-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 122067570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).