ethyl 1-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpropanoyl]piperidine-4-carboxylate

C17H26ClN3O3 — CID 56725387

IUPACethyl 1-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpropanoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C(C)Cn2nc(C)c(Cl)c2C)CC1
InChIInChI=1S/C17H26ClN3O3/c1-5-24-17(23)14-6-8-20(9-7-14)16(22)11(2)10-21-13(4)15(18)12(3)19-21/h11,14H,5-10H2,1-4H3
InChIKeyRYAWZYRFITUSJS-UHFFFAOYSA-N
MW355.87 g/mol
LogP2.59
Rot. Bonds5

About ethyl 1-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpropanoyl]piperidine-4-carboxylate

ethyl 1-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpropanoyl]piperidine-4-carboxylate (PubChem CID 56725387) has the molecular formula C17H26ClN3O3 and a molecular weight of 355.87 g/mol. Its IUPAC name is ethyl 1-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpropanoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpropanoyl]piperidine-4-carboxylate
PubChem CID56725387
Molecular FormulaC17H26ClN3O3
Molecular Weight355.87 g/mol
Exact Mass355.17
IUPAC Nameethyl 1-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpropanoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C(C)Cn2nc(C)c(Cl)c2C)CC1
InChIInChI=1S/C17H26ClN3O3/c1-5-24-17(23)14-6-8-20(9-7-14)16(22)11(2)10-21-13(4)15(18)12(3)19-21/h11,14H,5-10H2,1-4H3
InChIKeyRYAWZYRFITUSJS-UHFFFAOYSA-N
XLogP2.59
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.87
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-[(2R)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpropanoyl]piperidine-4-carboxylate
CID 39854740
ethyl 1-[(2R)-2-chloropropanoyl]piperidine-4-carboxylate
CID 7063284
ethyl 1-(2-bromopropanoyl)piperidine-4-carboxylate
CID 103693267
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]-2-methylpropan-1-one;hydrochloride
CID 171667399
ethyl 1-(2-amino-3-methylbutanoyl)piperidine-4-carboxylate
CID 43119956
ethyl 1-(2-ethylbutanoyl)piperidine-4-carboxylate
CID 4294885
ethyl 1-but-1-en-2-ylpiperidine-4-carboxylate
CID 129182819
1-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetyl]piperidine-4-carbohydrazide
CID 63577626
ethyl 1-(2,4-diamino-4-oxobutanoyl)piperidine-4-carboxylate
CID 60846566
ethyl 1-[(2S)-2-(4-methoxyphenoxy)propanoyl]piperidine-4-carboxylate
CID 925118
ethyl 1-[2-(cyclopropanecarbonylamino)pentanoyl]piperidine-4-carboxylate
CID 42698668
4-ethoxycarbonylpiperidine-1-carboxylic acid
CID 21189657

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpropanoyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpropanoyl]piperidine-4-carboxylate (CID 56725387) is ethyl 1-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpropanoyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpropanoyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpropanoyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)C(C)Cn2nc(C)c(Cl)c2C)CC1.
What is the InChIKey of ethyl 1-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpropanoyl]piperidine-4-carboxylate?
The InChIKey is RYAWZYRFITUSJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN3O3/c1-5-24-17(23)14-6-8-20(9-7-14)16(22)11(2)10-21-13(4)15(18)12(3)19-21/h11,14H,5-10H2,1-4H3.
What are the key properties of ethyl 1-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpropanoyl]piperidine-4-carboxylate?
ethyl 1-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpropanoyl]piperidine-4-carboxylate has a molecular weight of 355.87 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpropanoyl]piperidine-4-carboxylate is sourced from PubChem (CID 56725387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).