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

C14H23N3O2 — CID 114431052

IUPAC1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-ethylpiperidine-2-carboxylic acid
SMILESCCC1CCN(Cc2cc(C)nn2C)C(C(=O)O)C1
InChIInChI=1S/C14H23N3O2/c1-4-11-5-6-17(13(8-11)14(18)19)9-12-7-10(2)15-16(12)3/h7,11,13H,4-6,8-9H2,1-3H3,(H,18,19)
InChIKeyMHFREHRCWYFHKN-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.80
Rot. Bonds4

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

1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-ethylpiperidine-2-carboxylic acid (PubChem CID 114431052) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-ethylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-ethylpiperidine-2-carboxylic acid
PubChem CID114431052
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-ethylpiperidine-2-carboxylic acid
SMILESCCC1CCN(Cc2cc(C)nn2C)C(C(=O)O)C1
InChIInChI=1S/C14H23N3O2/c1-4-11-5-6-17(13(8-11)14(18)19)9-12-7-10(2)15-16(12)3/h7,11,13H,4-6,8-9H2,1-3H3,(H,18,19)
InChIKeyMHFREHRCWYFHKN-UHFFFAOYSA-N
XLogP1.80
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 ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-methylpiperidine-2-carboxylic acid
CID 114426481
1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-4-methylpiperidine-2-carboxylic acid
CID 114426545
4-ethyl-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid
CID 114431472
4-ethyl-1-[(3-methylphenyl)methyl]piperidine-2-carboxylic acid
CID 114431017
ethyl 1-[(2,5-dimethylpyrazol-3-yl)methyl]piperidine-2-carboxylate
CID 115539286
1-[(4-chloro-2-fluorophenyl)methyl]-4-ethylpiperidine-2-carboxylic acid
CID 114851059
4-ethyl-1-[(4-methoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 114430849
4-ethyl-1-(4-hydroxybutyl)piperidine-2-carboxylic acid
CID 114431447
4-ethyl-1-[(1-propyltetrazol-5-yl)methyl]piperidine-2-carboxylic acid
CID 114431580
4-ethyl-1-[(3-methoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 114431427
1-[(4-cyano-2-methylphenyl)methyl]-4-ethylpiperidine-2-carboxylic acid
CID 114484692
4-ethyl-1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]piperidine-2-carboxylic acid
CID 114430623

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-ethylpiperidine-2-carboxylic acid?
The IUPAC name of 1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-ethylpiperidine-2-carboxylic acid (CID 114431052) is 1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-ethylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-ethylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-ethylpiperidine-2-carboxylic acid is CCC1CCN(Cc2cc(C)nn2C)C(C(=O)O)C1.
What is the InChIKey of 1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-ethylpiperidine-2-carboxylic acid?
The InChIKey is MHFREHRCWYFHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-4-11-5-6-17(13(8-11)14(18)19)9-12-7-10(2)15-16(12)3/h7,11,13H,4-6,8-9H2,1-3H3,(H,18,19).
What are the key properties of 1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-ethylpiperidine-2-carboxylic acid?
1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-ethylpiperidine-2-carboxylic acid has a molecular weight of 265.36 g/mol, XLogP of 1.80, 4 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-ethylpiperidine-2-carboxylic acid is sourced from PubChem (CID 114431052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).