4-(2-methyl-5-oxo-1H-pyrazol-4-yl)piperidine-1-carboxylic acid

C10H15N3O3 — CID 70813340

IUPAC4-(2-methyl-5-oxo-1H-pyrazol-4-yl)piperidine-1-carboxylic acid
SMILESCn1cc(C2CCN(C(=O)O)CC2)c(=O)[nH]1
InChIInChI=1S/C10H15N3O3/c1-12-6-8(9(14)11-12)7-2-4-13(5-3-7)10(15)16/h6-7H,2-5H2,1H3,(H,11,14)(H,15,16)
InChIKeyCVNIEUCSLASPPF-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.57
Rot. Bonds1

About 4-(2-methyl-5-oxo-1H-pyrazol-4-yl)piperidine-1-carboxylic acid

4-(2-methyl-5-oxo-1H-pyrazol-4-yl)piperidine-1-carboxylic acid (PubChem CID 70813340) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 4-(2-methyl-5-oxo-1H-pyrazol-4-yl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(2-methyl-5-oxo-1H-pyrazol-4-yl)piperidine-1-carboxylic acid
PubChem CID70813340
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name4-(2-methyl-5-oxo-1H-pyrazol-4-yl)piperidine-1-carboxylic acid
SMILESCn1cc(C2CCN(C(=O)O)CC2)c(=O)[nH]1
InChIInChI=1S/C10H15N3O3/c1-12-6-8(9(14)11-12)7-2-4-13(5-3-7)10(15)16/h6-7H,2-5H2,1H3,(H,11,14)(H,15,16)
InChIKeyCVNIEUCSLASPPF-UHFFFAOYSA-N
XLogP0.57
TPSA78.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-5-oxo-1H-pyrazol-4-yl)piperidine-1-carboxylic acid?
The IUPAC name of 4-(2-methyl-5-oxo-1H-pyrazol-4-yl)piperidine-1-carboxylic acid (CID 70813340) is 4-(2-methyl-5-oxo-1H-pyrazol-4-yl)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(2-methyl-5-oxo-1H-pyrazol-4-yl)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(2-methyl-5-oxo-1H-pyrazol-4-yl)piperidine-1-carboxylic acid is Cn1cc(C2CCN(C(=O)O)CC2)c(=O)[nH]1.
What is the InChIKey of 4-(2-methyl-5-oxo-1H-pyrazol-4-yl)piperidine-1-carboxylic acid?
The InChIKey is CVNIEUCSLASPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-12-6-8(9(14)11-12)7-2-4-13(5-3-7)10(15)16/h6-7H,2-5H2,1H3,(H,11,14)(H,15,16).
What are the key properties of 4-(2-methyl-5-oxo-1H-pyrazol-4-yl)piperidine-1-carboxylic acid?
4-(2-methyl-5-oxo-1H-pyrazol-4-yl)piperidine-1-carboxylic acid has a molecular weight of 225.25 g/mol, XLogP of 0.57, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-5-oxo-1H-pyrazol-4-yl)piperidine-1-carboxylic acid is sourced from PubChem (CID 70813340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).