3-[(5-chloro-1,3-dimethylpyrazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid

C12H16ClN3O3 — CID 86782821

IUPAC3-[(5-chloro-1,3-dimethylpyrazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCc1nn(C)c(Cl)c1C(=O)NC1CCC(C(=O)O)C1
InChIInChI=1S/C12H16ClN3O3/c1-6-9(10(13)16(2)15-6)11(17)14-8-4-3-7(5-8)12(18)19/h7-8H,3-5H2,1-2H3,(H,14,17)(H,18,19)
InChIKeyBJQIGBKIDRSQPK-UHFFFAOYSA-N
MW285.73 g/mol
LogP1.37
Rot. Bonds3

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

3-[(5-chloro-1,3-dimethylpyrazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 86782821) has the molecular formula C12H16ClN3O3 and a molecular weight of 285.73 g/mol. Its IUPAC name is 3-[(5-chloro-1,3-dimethylpyrazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(5-chloro-1,3-dimethylpyrazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid
PubChem CID86782821
Molecular FormulaC12H16ClN3O3
Molecular Weight285.73 g/mol
Exact Mass285.09
IUPAC Name3-[(5-chloro-1,3-dimethylpyrazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCc1nn(C)c(Cl)c1C(=O)NC1CCC(C(=O)O)C1
InChIInChI=1S/C12H16ClN3O3/c1-6-9(10(13)16(2)15-6)11(17)14-8-4-3-7(5-8)12(18)19/h7-8H,3-5H2,1-2H3,(H,14,17)(H,18,19)
InChIKeyBJQIGBKIDRSQPK-UHFFFAOYSA-N
XLogP1.37
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-1,3-dimethylpyrazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[(5-chloro-1,3-dimethylpyrazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid (CID 86782821) is 3-[(5-chloro-1,3-dimethylpyrazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[(5-chloro-1,3-dimethylpyrazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[(5-chloro-1,3-dimethylpyrazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid is Cc1nn(C)c(Cl)c1C(=O)NC1CCC(C(=O)O)C1.
What is the InChIKey of 3-[(5-chloro-1,3-dimethylpyrazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is BJQIGBKIDRSQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O3/c1-6-9(10(13)16(2)15-6)11(17)14-8-4-3-7(5-8)12(18)19/h7-8H,3-5H2,1-2H3,(H,14,17)(H,18,19).
What are the key properties of 3-[(5-chloro-1,3-dimethylpyrazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid?
3-[(5-chloro-1,3-dimethylpyrazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 285.73 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-1,3-dimethylpyrazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 86782821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).