(3R)-1-(3-ethyl-1-methylpyrazole-5-carbonyl)piperidine-3-carboxylic acid

C13H19N3O3 — CID 81119737

IUPAC(3R)-1-(3-ethyl-1-methylpyrazole-5-carbonyl)piperidine-3-carboxylic acid
SMILESCCc1cc(C(=O)N2CCC[C@@H](C(=O)O)C2)n(C)n1
InChIInChI=1S/C13H19N3O3/c1-3-10-7-11(15(2)14-10)12(17)16-6-4-5-9(8-16)13(18)19/h7,9H,3-6,8H2,1-2H3,(H,18,19)/t9-/m1/s1
InChIKeyRLMQOSQQLPLODC-SECBINFHSA-N
MW265.31 g/mol
LogP0.92
Rot. Bonds3

About (3R)-1-(3-ethyl-1-methylpyrazole-5-carbonyl)piperidine-3-carboxylic acid

(3R)-1-(3-ethyl-1-methylpyrazole-5-carbonyl)piperidine-3-carboxylic acid (PubChem CID 81119737) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is (3R)-1-(3-ethyl-1-methylpyrazole-5-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-(3-ethyl-1-methylpyrazole-5-carbonyl)piperidine-3-carboxylic acid
PubChem CID81119737
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name(3R)-1-(3-ethyl-1-methylpyrazole-5-carbonyl)piperidine-3-carboxylic acid
SMILESCCc1cc(C(=O)N2CCC[C@@H](C(=O)O)C2)n(C)n1
InChIInChI=1S/C13H19N3O3/c1-3-10-7-11(15(2)14-10)12(17)16-6-4-5-9(8-16)13(18)19/h7,9H,3-6,8H2,1-2H3,(H,18,19)/t9-/m1/s1
InChIKeyRLMQOSQQLPLODC-SECBINFHSA-N
XLogP0.92
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-ethyl-1-methylpyrazol-5-yl)-pyrrolidin-1-ylmethanone
CID 66120347
(3S)-1-(2,5-dimethylpyrazole-3-carbonyl)piperidine-3-carboxylic acid
CID 78996840
(3-bromopyrrolidin-1-yl)-(3-ethyl-1-methylpyrazol-5-yl)methanone
CID 80677421
[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-(3-ethyl-1-methylpyrazol-5-yl)methanone
CID 79409981
[1-(3-ethyl-1-methylpyrazole-5-carbonyl)piperidin-3-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 24819516
[3-(aminomethyl)-4-methylpiperidin-1-yl]-(3-ethyl-1-methylpyrazol-5-yl)methanone
CID 114960250
cyclohexyl-(3-ethyl-1-methylpyrazol-5-yl)methanone
CID 105076841
[3-(2-chloroethyl)pyrrolidin-1-yl]-(3-ethyl-1-methylpyrazol-5-yl)methanone
CID 114801021
1-(3-ethyl-1-methylpyrazole-5-carbonyl)-3-methylpiperidine-2-carboxylic acid
CID 107069278
azepan-1-yl-(1,3-diethylpyrazol-5-yl)methanone
CID 66120416
[3-(3,4-difluoroanilino)piperidin-1-yl]-(3-ethyl-1-methylpyrazol-5-yl)methanone
CID 24791396
[4-(bromomethyl)piperidin-1-yl]-(3-ethyl-1-methylpyrazol-5-yl)methanone
CID 80678289

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3-ethyl-1-methylpyrazole-5-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-(3-ethyl-1-methylpyrazole-5-carbonyl)piperidine-3-carboxylic acid (CID 81119737) is (3R)-1-(3-ethyl-1-methylpyrazole-5-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-(3-ethyl-1-methylpyrazole-5-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-(3-ethyl-1-methylpyrazole-5-carbonyl)piperidine-3-carboxylic acid is CCc1cc(C(=O)N2CCC[C@@H](C(=O)O)C2)n(C)n1.
What is the InChIKey of (3R)-1-(3-ethyl-1-methylpyrazole-5-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is RLMQOSQQLPLODC-SECBINFHSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-3-10-7-11(15(2)14-10)12(17)16-6-4-5-9(8-16)13(18)19/h7,9H,3-6,8H2,1-2H3,(H,18,19)/t9-/m1/s1.
What are the key properties of (3R)-1-(3-ethyl-1-methylpyrazole-5-carbonyl)piperidine-3-carboxylic acid?
(3R)-1-(3-ethyl-1-methylpyrazole-5-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3-ethyl-1-methylpyrazole-5-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 81119737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).