1-cyclopropyl-2-(3-ethyl-1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxylic acid

C15H21N3O3 — CID 115990908

IUPAC1-cyclopropyl-2-(3-ethyl-1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxylic acid
SMILESCCc1nn(C)cc1C1C(C(=O)O)CCC(=O)N1C1CC1
InChIInChI=1S/C15H21N3O3/c1-3-12-11(8-17(2)16-12)14-10(15(20)21)6-7-13(19)18(14)9-4-5-9/h8-10,14H,3-7H2,1-2H3,(H,20,21)
InChIKeyCIXLJSSORDPUSJ-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.51
Rot. Bonds4

About 1-cyclopropyl-2-(3-ethyl-1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxylic acid

1-cyclopropyl-2-(3-ethyl-1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxylic acid (PubChem CID 115990908) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-cyclopropyl-2-(3-ethyl-1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-cyclopropyl-2-(3-ethyl-1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxylic acid
PubChem CID115990908
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name1-cyclopropyl-2-(3-ethyl-1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxylic acid
SMILESCCc1nn(C)cc1C1C(C(=O)O)CCC(=O)N1C1CC1
InChIInChI=1S/C15H21N3O3/c1-3-12-11(8-17(2)16-12)14-10(15(20)21)6-7-13(19)18(14)9-4-5-9/h8-10,14H,3-7H2,1-2H3,(H,20,21)
InChIKeyCIXLJSSORDPUSJ-UHFFFAOYSA-N
XLogP1.51
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-2-(5-methylthiophen-2-yl)-6-oxopiperidine-3-carboxylic acid
CID 63379529
2-(3-ethyl-1-methylpyrazol-4-yl)-1,3-thiazinane-4-carboxylic acid
CID 112669889
2-(4-bromophenyl)-1-cyclopropyl-6-oxopiperidine-3-carboxylic acid
CID 63379117
(2R,3R)-2-(2-chlorophenyl)-1-cyclohexyl-6-oxopiperidine-3-carboxylic acid
CID 6928851
4-amino-1-tert-butyl-5-(3-ethyl-1-methylpyrazol-4-yl)pyrrolidin-2-one
CID 112671274
2-(3-ethyl-1-methylpyrazol-4-yl)-1-methylpyrrolidin-3-amine
CID 112671279
1-(3-ethyl-1-methylpyrazol-4-yl)-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid
CID 107464738
2-[(3-ethyl-1-methylpyrazol-4-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 107462239
2-(1,5-dimethylpyrazol-4-yl)-1-ethyl-6-oxopiperidine-3-carboxylic acid
CID 79584605
2-(2-chloro-6-fluorophenyl)-1-cyclopropyl-6-oxopiperidine-3-carboxylic acid
CID 63379163
2-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 115886751
4-amino-1-cyclopropyl-5-(1,3-dimethylpyrazol-4-yl)pyrrolidin-2-one
CID 83094417

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(3-ethyl-1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxylic acid?
The IUPAC name of 1-cyclopropyl-2-(3-ethyl-1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxylic acid (CID 115990908) is 1-cyclopropyl-2-(3-ethyl-1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxylic acid.
What is the SMILES notation for 1-cyclopropyl-2-(3-ethyl-1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxylic acid?
The canonical SMILES for 1-cyclopropyl-2-(3-ethyl-1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxylic acid is CCc1nn(C)cc1C1C(C(=O)O)CCC(=O)N1C1CC1.
What is the InChIKey of 1-cyclopropyl-2-(3-ethyl-1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxylic acid?
The InChIKey is CIXLJSSORDPUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-3-12-11(8-17(2)16-12)14-10(15(20)21)6-7-13(19)18(14)9-4-5-9/h8-10,14H,3-7H2,1-2H3,(H,20,21).
What are the key properties of 1-cyclopropyl-2-(3-ethyl-1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxylic acid?
1-cyclopropyl-2-(3-ethyl-1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(3-ethyl-1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxylic acid is sourced from PubChem (CID 115990908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).