1-(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)piperidine-2-carboxylic acid

C16H25N3O3 — CID 120514993

IUPAC1-(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)piperidine-2-carboxylic acid
SMILESCCC(CC)n1ncc(C(=O)N2CCCCC2C(=O)O)c1C
InChIInChI=1S/C16H25N3O3/c1-4-12(5-2)19-11(3)13(10-17-19)15(20)18-9-7-6-8-14(18)16(21)22/h10,12,14H,4-9H2,1-3H3,(H,21,22)
InChIKeyCRMPCKUZWGMFDV-UHFFFAOYSA-N
MW307.39 g/mol
LogP2.63
Rot. Bonds5

About 1-(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)piperidine-2-carboxylic acid

1-(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)piperidine-2-carboxylic acid (PubChem CID 120514993) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is 1-(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)piperidine-2-carboxylic acid
PubChem CID120514993
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name1-(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)piperidine-2-carboxylic acid
SMILESCCC(CC)n1ncc(C(=O)N2CCCCC2C(=O)O)c1C
InChIInChI=1S/C16H25N3O3/c1-4-12(5-2)19-11(3)13(10-17-19)15(20)18-9-7-6-8-14(18)16(21)22/h10,12,14H,4-9H2,1-3H3,(H,21,22)
InChIKeyCRMPCKUZWGMFDV-UHFFFAOYSA-N
XLogP2.63
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)piperidine-2-carboxylic acid
CID 120514933
(5-methyl-1-pentan-3-ylpyrazol-4-yl)-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 122135234
(2R)-1-(1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridine-4-carbonyl)piperidine-2-carboxylic acid
CID 120537402
(2R)-1-(5-methyl-1-propylpyrazole-4-carbonyl)azetidine-2-carboxylic acid
CID 97274134
(2S)-1-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)piperidine-2-carboxylic acid
CID 66264397
(2R)-1-[1-(2-chlorophenyl)-5-methylpyrazole-4-carbonyl]pyrrolidine-2-carboxylic acid
CID 119370990
(2S,4R)-4-fluoro-1-(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)pyrrolidine-2-carboxamide
CID 120965581
3-[1-(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)piperidin-3-yl]propanoic acid
CID 120536660
(2S)-1-(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)piperidine-2-carboxylic acid
CID 129414629
1-(2-methylbenzoyl)azepane-2-carboxylic acid
CID 64559546
1-(5-methyl-1-pentan-3-ylpyrazol-4-yl)ethanone
CID 61271115
(2R)-1-(2,5-dimethylthiophene-3-carbonyl)piperidine-2-carboxylic acid
CID 79034345

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)piperidine-2-carboxylic acid?
The IUPAC name of 1-(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)piperidine-2-carboxylic acid (CID 120514993) is 1-(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 1-(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)piperidine-2-carboxylic acid?
The canonical SMILES for 1-(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)piperidine-2-carboxylic acid is CCC(CC)n1ncc(C(=O)N2CCCCC2C(=O)O)c1C.
What is the InChIKey of 1-(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)piperidine-2-carboxylic acid?
The InChIKey is CRMPCKUZWGMFDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-4-12(5-2)19-11(3)13(10-17-19)15(20)18-9-7-6-8-14(18)16(21)22/h10,12,14H,4-9H2,1-3H3,(H,21,22).
What are the key properties of 1-(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)piperidine-2-carboxylic acid?
1-(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)piperidine-2-carboxylic acid has a molecular weight of 307.39 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 120514993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).