1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidine-3-carboxylic acid

C14H23N3O2 — CID 19623252

IUPAC1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidine-3-carboxylic acid
SMILESCCn1nc(C)c(CN2CCCC(C(=O)O)C2)c1C
InChIInChI=1S/C14H23N3O2/c1-4-17-11(3)13(10(2)15-17)9-16-7-5-6-12(8-16)14(18)19/h12H,4-9H2,1-3H3,(H,18,19)
InChIKeyPJOZCROPHWVDDX-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.82
Rot. Bonds4

About 1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidine-3-carboxylic acid

1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidine-3-carboxylic acid (PubChem CID 19623252) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidine-3-carboxylic acid
PubChem CID19623252
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidine-3-carboxylic acid
SMILESCCn1nc(C)c(CN2CCCC(C(=O)O)C2)c1C
InChIInChI=1S/C14H23N3O2/c1-4-17-11(3)13(10(2)15-17)9-16-7-5-6-12(8-16)14(18)19/h12H,4-9H2,1-3H3,(H,18,19)
InChIKeyPJOZCROPHWVDDX-UHFFFAOYSA-N
XLogP1.82
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidine-3-carboxylic acid (CID 19623252) is 1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidine-3-carboxylic acid is CCn1nc(C)c(CN2CCCC(C(=O)O)C2)c1C.
What is the InChIKey of 1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidine-3-carboxylic acid?
The InChIKey is PJOZCROPHWVDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-4-17-11(3)13(10(2)15-17)9-16-7-5-6-12(8-16)14(18)19/h12H,4-9H2,1-3H3,(H,18,19).
What are the key properties of 1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidine-3-carboxylic acid?
1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidine-3-carboxylic acid has a molecular weight of 265.36 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 19623252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).