1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)piperidine-4-carboxylic acid

C12H17N3O3 — CID 43583175

IUPAC1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)piperidine-4-carboxylic acid
SMILESCc1n[nH]c(C)c1C(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C12H17N3O3/c1-7-10(8(2)14-13-7)11(16)15-5-3-9(4-6-15)12(17)18/h9H,3-6H2,1-2H3,(H,13,14)(H,17,18)
InChIKeyREFLBZMICCLXEA-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.96
Rot. Bonds2

About 1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)piperidine-4-carboxylic acid

1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)piperidine-4-carboxylic acid (PubChem CID 43583175) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)piperidine-4-carboxylic acid
PubChem CID43583175
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)piperidine-4-carboxylic acid
SMILESCc1n[nH]c(C)c1C(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C12H17N3O3/c1-7-10(8(2)14-13-7)11(16)15-5-3-9(4-6-15)12(17)18/h9H,3-6H2,1-2H3,(H,13,14)(H,17,18)
InChIKeyREFLBZMICCLXEA-UHFFFAOYSA-N
XLogP0.96
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)piperidine-4-carboxylic acid (CID 43583175) is 1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)piperidine-4-carboxylic acid is Cc1n[nH]c(C)c1C(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)piperidine-4-carboxylic acid?
The InChIKey is REFLBZMICCLXEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-7-10(8(2)14-13-7)11(16)15-5-3-9(4-6-15)12(17)18/h9H,3-6H2,1-2H3,(H,13,14)(H,17,18).
What are the key properties of 1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)piperidine-4-carboxylic acid?
1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)piperidine-4-carboxylic acid has a molecular weight of 251.29 g/mol, XLogP of 0.96, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 43583175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).