2-[(5-chloro-1,3-dimethylpyrazole-4-carbonyl)amino]pentanoic acid

C11H16ClN3O3 — CID 86814608

IUPAC2-[(5-chloro-1,3-dimethylpyrazole-4-carbonyl)amino]pentanoic acid
SMILESCCCC(NC(=O)c1c(C)nn(C)c1Cl)C(=O)O
InChIInChI=1S/C11H16ClN3O3/c1-4-5-7(11(17)18)13-10(16)8-6(2)14-15(3)9(8)12/h7H,4-5H2,1-3H3,(H,13,16)(H,17,18)
InChIKeyCQBXSAZHWSDLQC-UHFFFAOYSA-N
MW273.72 g/mol
LogP1.37
Rot. Bonds5

About 2-[(5-chloro-1,3-dimethylpyrazole-4-carbonyl)amino]pentanoic acid

2-[(5-chloro-1,3-dimethylpyrazole-4-carbonyl)amino]pentanoic acid (PubChem CID 86814608) has the molecular formula C11H16ClN3O3 and a molecular weight of 273.72 g/mol. Its IUPAC name is 2-[(5-chloro-1,3-dimethylpyrazole-4-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name2-[(5-chloro-1,3-dimethylpyrazole-4-carbonyl)amino]pentanoic acid
PubChem CID86814608
Molecular FormulaC11H16ClN3O3
Molecular Weight273.72 g/mol
Exact Mass273.09
IUPAC Name2-[(5-chloro-1,3-dimethylpyrazole-4-carbonyl)amino]pentanoic acid
SMILESCCCC(NC(=O)c1c(C)nn(C)c1Cl)C(=O)O
InChIInChI=1S/C11H16ClN3O3/c1-4-5-7(11(17)18)13-10(16)8-6(2)14-15(3)9(8)12/h7H,4-5H2,1-3H3,(H,13,16)(H,17,18)
InChIKeyCQBXSAZHWSDLQC-UHFFFAOYSA-N
XLogP1.37
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-1,3-dimethylpyrazole-4-carbonyl)amino]pentanoic acid?
The IUPAC name of 2-[(5-chloro-1,3-dimethylpyrazole-4-carbonyl)amino]pentanoic acid (CID 86814608) is 2-[(5-chloro-1,3-dimethylpyrazole-4-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 2-[(5-chloro-1,3-dimethylpyrazole-4-carbonyl)amino]pentanoic acid?
The canonical SMILES for 2-[(5-chloro-1,3-dimethylpyrazole-4-carbonyl)amino]pentanoic acid is CCCC(NC(=O)c1c(C)nn(C)c1Cl)C(=O)O.
What is the InChIKey of 2-[(5-chloro-1,3-dimethylpyrazole-4-carbonyl)amino]pentanoic acid?
The InChIKey is CQBXSAZHWSDLQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O3/c1-4-5-7(11(17)18)13-10(16)8-6(2)14-15(3)9(8)12/h7H,4-5H2,1-3H3,(H,13,16)(H,17,18).
What are the key properties of 2-[(5-chloro-1,3-dimethylpyrazole-4-carbonyl)amino]pentanoic acid?
2-[(5-chloro-1,3-dimethylpyrazole-4-carbonyl)amino]pentanoic acid has a molecular weight of 273.72 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-1,3-dimethylpyrazole-4-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 86814608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).