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

C12H17N3O3 — CID 110835307

IUPAC1-(4,5-dimethyl-1H-pyrazole-3-carbonyl)piperidine-3-carboxylic acid
SMILESCc1[nH]nc(C(=O)N2CCCC(C(=O)O)C2)c1C
InChIInChI=1S/C12H17N3O3/c1-7-8(2)13-14-10(7)11(16)15-5-3-4-9(6-15)12(17)18/h9H,3-6H2,1-2H3,(H,13,14)(H,17,18)
InChIKeySCEXRUAPSGRJDN-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.96
Rot. Bonds2

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

1-(4,5-dimethyl-1H-pyrazole-3-carbonyl)piperidine-3-carboxylic acid (PubChem CID 110835307) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 1-(4,5-dimethyl-1H-pyrazole-3-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4,5-dimethyl-1H-pyrazole-3-carbonyl)piperidine-3-carboxylic acid
PubChem CID110835307
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name1-(4,5-dimethyl-1H-pyrazole-3-carbonyl)piperidine-3-carboxylic acid
SMILESCc1[nH]nc(C(=O)N2CCCC(C(=O)O)C2)c1C
InChIInChI=1S/C12H17N3O3/c1-7-8(2)13-14-10(7)11(16)15-5-3-4-9(6-15)12(17)18/h9H,3-6H2,1-2H3,(H,13,14)(H,17,18)
InChIKeySCEXRUAPSGRJDN-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-(4,5-dimethyl-1H-pyrazole-3-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(4,5-dimethyl-1H-pyrazole-3-carbonyl)piperidine-3-carboxylic acid (CID 110835307) is 1-(4,5-dimethyl-1H-pyrazole-3-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(4,5-dimethyl-1H-pyrazole-3-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(4,5-dimethyl-1H-pyrazole-3-carbonyl)piperidine-3-carboxylic acid is Cc1[nH]nc(C(=O)N2CCCC(C(=O)O)C2)c1C.
What is the InChIKey of 1-(4,5-dimethyl-1H-pyrazole-3-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is SCEXRUAPSGRJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-7-8(2)13-14-10(7)11(16)15-5-3-4-9(6-15)12(17)18/h9H,3-6H2,1-2H3,(H,13,14)(H,17,18).
What are the key properties of 1-(4,5-dimethyl-1H-pyrazole-3-carbonyl)piperidine-3-carboxylic acid?
1-(4,5-dimethyl-1H-pyrazole-3-carbonyl)piperidine-3-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-(4,5-dimethyl-1H-pyrazole-3-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 110835307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).