1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-methylpiperidine-2-carboxylic acid

C13H21N3O2 — CID 114426481

IUPAC1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-methylpiperidine-2-carboxylic acid
SMILESCc1cc(CN2CCC(C)CC2C(=O)O)n(C)n1
InChIInChI=1S/C13H21N3O2/c1-9-4-5-16(12(6-9)13(17)18)8-11-7-10(2)14-15(11)3/h7,9,12H,4-6,8H2,1-3H3,(H,17,18)
InChIKeyMYYFQOITAOACTQ-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.41
Rot. Bonds3

About 1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-methylpiperidine-2-carboxylic acid

1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-methylpiperidine-2-carboxylic acid (PubChem CID 114426481) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-methylpiperidine-2-carboxylic acid
PubChem CID114426481
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-methylpiperidine-2-carboxylic acid
SMILESCc1cc(CN2CCC(C)CC2C(=O)O)n(C)n1
InChIInChI=1S/C13H21N3O2/c1-9-4-5-16(12(6-9)13(17)18)8-11-7-10(2)14-15(11)3/h7,9,12H,4-6,8H2,1-3H3,(H,17,18)
InChIKeyMYYFQOITAOACTQ-UHFFFAOYSA-N
XLogP1.41
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-methylpiperidine-2-carboxylic acid (CID 114426481) is 1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-methylpiperidine-2-carboxylic acid is Cc1cc(CN2CCC(C)CC2C(=O)O)n(C)n1.
What is the InChIKey of 1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-methylpiperidine-2-carboxylic acid?
The InChIKey is MYYFQOITAOACTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-9-4-5-16(12(6-9)13(17)18)8-11-7-10(2)14-15(11)3/h7,9,12H,4-6,8H2,1-3H3,(H,17,18).
What are the key properties of 1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-methylpiperidine-2-carboxylic acid?
1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-methylpiperidine-2-carboxylic acid has a molecular weight of 251.33 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 114426481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).