2-[(1,3-dimethylpyrazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid

C12H17N3O3 — CID 103790683

IUPAC2-[(1,3-dimethylpyrazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCc1nn(C)cc1C(=O)NC1CCCC1C(=O)O
InChIInChI=1S/C12H17N3O3/c1-7-9(6-15(2)14-7)11(16)13-10-5-3-4-8(10)12(17)18/h6,8,10H,3-5H2,1-2H3,(H,13,16)(H,17,18)
InChIKeyFOIWWJYWVJVKIT-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.71
Rot. Bonds3

About 2-[(1,3-dimethylpyrazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid

2-[(1,3-dimethylpyrazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 103790683) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-[(1,3-dimethylpyrazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(1,3-dimethylpyrazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid
PubChem CID103790683
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name2-[(1,3-dimethylpyrazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCc1nn(C)cc1C(=O)NC1CCCC1C(=O)O
InChIInChI=1S/C12H17N3O3/c1-7-9(6-15(2)14-7)11(16)13-10-5-3-4-8(10)12(17)18/h6,8,10H,3-5H2,1-2H3,(H,13,16)(H,17,18)
InChIKeyFOIWWJYWVJVKIT-UHFFFAOYSA-N
XLogP0.71
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(1,3-dimethylpyrazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(1,3-dimethylpyrazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid (CID 103790683) is 2-[(1,3-dimethylpyrazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(1,3-dimethylpyrazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(1,3-dimethylpyrazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid is Cc1nn(C)cc1C(=O)NC1CCCC1C(=O)O.
What is the InChIKey of 2-[(1,3-dimethylpyrazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is FOIWWJYWVJVKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-7-9(6-15(2)14-7)11(16)13-10-5-3-4-8(10)12(17)18/h6,8,10H,3-5H2,1-2H3,(H,13,16)(H,17,18).
What are the key properties of 2-[(1,3-dimethylpyrazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid?
2-[(1,3-dimethylpyrazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 251.29 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,3-dimethylpyrazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103790683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).