5-methyl-1-[5-methyl-1-(3-methylbutyl)pyrazole-4-carbonyl]piperidine-3-carboxylic acid

C17H27N3O3 — CID 122117136

IUPAC5-methyl-1-[5-methyl-1-(3-methylbutyl)pyrazole-4-carbonyl]piperidine-3-carboxylic acid
SMILESCc1c(C(=O)N2CC(C)CC(C(=O)O)C2)cnn1CCC(C)C
InChIInChI=1S/C17H27N3O3/c1-11(2)5-6-20-13(4)15(8-18-20)16(21)19-9-12(3)7-14(10-19)17(22)23/h8,11-12,14H,5-7,9-10H2,1-4H3,(H,22,23)
InChIKeyFUOPJMCAGJJUGO-UHFFFAOYSA-N
MW321.42 g/mol
LogP2.42
Rot. Bonds5

About 5-methyl-1-[5-methyl-1-(3-methylbutyl)pyrazole-4-carbonyl]piperidine-3-carboxylic acid

5-methyl-1-[5-methyl-1-(3-methylbutyl)pyrazole-4-carbonyl]piperidine-3-carboxylic acid (PubChem CID 122117136) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is 5-methyl-1-[5-methyl-1-(3-methylbutyl)pyrazole-4-carbonyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-1-[5-methyl-1-(3-methylbutyl)pyrazole-4-carbonyl]piperidine-3-carboxylic acid
PubChem CID122117136
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Name5-methyl-1-[5-methyl-1-(3-methylbutyl)pyrazole-4-carbonyl]piperidine-3-carboxylic acid
SMILESCc1c(C(=O)N2CC(C)CC(C(=O)O)C2)cnn1CCC(C)C
InChIInChI=1S/C17H27N3O3/c1-11(2)5-6-20-13(4)15(8-18-20)16(21)19-9-12(3)7-14(10-19)17(22)23/h8,11-12,14H,5-7,9-10H2,1-4H3,(H,22,23)
InChIKeyFUOPJMCAGJJUGO-UHFFFAOYSA-N
XLogP2.42
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,4S)-4-methyl-1-[5-methyl-1-(3-methylbutyl)pyrazole-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 122112047
1-(1-benzyl-5-methylpyrazole-4-carbonyl)-5-methylpiperidine-3-carboxylic acid
CID 122118733
1-[5-ethyl-1-(2-methylpropyl)pyrazole-4-carbonyl]-5-methylpiperidine-3-carboxylic acid
CID 122117087
6-methyl-1-[5-methyl-1-(3-methylbutyl)pyrazole-4-carbonyl]piperidine-3-carboxylic acid
CID 122112776
1-(1-butan-2-yl-5-cyclopropylpyrazole-4-carbonyl)-5-methylpiperidine-3-carboxylic acid
CID 122117110
1-(6-bromopyrazolo[1,5-a]pyrimidine-3-carbonyl)-5-methylpiperidine-3-carboxylic acid
CID 122117097
4-[5-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]morpholine-2-carboxylic acid
CID 120526129
5-methyl-1-(1-propan-2-ylpyrazole-4-carbonyl)piperidine-3-carboxylic acid
CID 122117281
1-(1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridine-4-carbonyl)-5-methylpiperidine-3-carboxylic acid
CID 122117753
5-methyl-1-[2-(2-methylpropyl)-1,3-thiazole-4-carbonyl]piperidine-3-carboxylic acid
CID 122117781
1-(3-ethyl-6-methylpyridazine-4-carbonyl)-5-methylpiperidine-3-carboxylic acid
CID 122117046
5-methyl-1-(5-methyl-1H-indazole-7-carbonyl)piperidine-3-carboxylic acid
CID 122118408

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[5-methyl-1-(3-methylbutyl)pyrazole-4-carbonyl]piperidine-3-carboxylic acid?
The IUPAC name of 5-methyl-1-[5-methyl-1-(3-methylbutyl)pyrazole-4-carbonyl]piperidine-3-carboxylic acid (CID 122117136) is 5-methyl-1-[5-methyl-1-(3-methylbutyl)pyrazole-4-carbonyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 5-methyl-1-[5-methyl-1-(3-methylbutyl)pyrazole-4-carbonyl]piperidine-3-carboxylic acid?
The canonical SMILES for 5-methyl-1-[5-methyl-1-(3-methylbutyl)pyrazole-4-carbonyl]piperidine-3-carboxylic acid is Cc1c(C(=O)N2CC(C)CC(C(=O)O)C2)cnn1CCC(C)C.
What is the InChIKey of 5-methyl-1-[5-methyl-1-(3-methylbutyl)pyrazole-4-carbonyl]piperidine-3-carboxylic acid?
The InChIKey is FUOPJMCAGJJUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-11(2)5-6-20-13(4)15(8-18-20)16(21)19-9-12(3)7-14(10-19)17(22)23/h8,11-12,14H,5-7,9-10H2,1-4H3,(H,22,23).
What are the key properties of 5-methyl-1-[5-methyl-1-(3-methylbutyl)pyrazole-4-carbonyl]piperidine-3-carboxylic acid?
5-methyl-1-[5-methyl-1-(3-methylbutyl)pyrazole-4-carbonyl]piperidine-3-carboxylic acid has a molecular weight of 321.42 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[5-methyl-1-(3-methylbutyl)pyrazole-4-carbonyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122117136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).