2-[1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidin-4-yl]acetic acid

C14H21N3O3 — CID 79615523

IUPAC2-[1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidin-4-yl]acetic acid
SMILESCCn1nc(C)cc1C(=O)N1CCC(CC(=O)O)CC1
InChIInChI=1S/C14H21N3O3/c1-3-17-12(8-10(2)15-17)14(20)16-6-4-11(5-7-16)9-13(18)19/h8,11H,3-7,9H2,1-2H3,(H,18,19)
InChIKeyCYCWTDMLTWBYGW-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.54
Rot. Bonds4

About 2-[1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidin-4-yl]acetic acid

2-[1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidin-4-yl]acetic acid (PubChem CID 79615523) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidin-4-yl]acetic acid
PubChem CID79615523
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name2-[1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidin-4-yl]acetic acid
SMILESCCn1nc(C)cc1C(=O)N1CCC(CC(=O)O)CC1
InChIInChI=1S/C14H21N3O3/c1-3-17-12(8-10(2)15-17)14(20)16-6-4-11(5-7-16)9-13(18)19/h8,11H,3-7,9H2,1-2H3,(H,18,19)
InChIKeyCYCWTDMLTWBYGW-UHFFFAOYSA-N
XLogP1.54
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

aziridin-1-yl-(2-ethyl-5-methylpyrazol-3-yl)methanone
CID 127002241
1-(2-ethyl-5-methylpyrazole-3-carbonyl)-N'-hydroxypiperidine-4-carboximidamide
CID 77113272
2-[1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidin-4-yl]-1,3-thiazole-5-carboxylic acid
CID 136556527
(3-amino-5-methylpiperidin-1-yl)-(2-ethyl-5-methylpyrazol-3-yl)methanone
CID 79994530
2-[1-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]piperidin-4-yl]acetic acid
CID 79612728
(2-ethyl-5-methylpyrazol-3-yl)-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone
CID 111109380
[4-(2-aminoethyl)piperazin-1-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone
CID 66128659
(2-ethyl-5-methylpyrazol-3-yl)-(3-methylpiperazin-1-yl)methanone
CID 66121470
[4-(aminomethyl)-4-methylpiperidin-1-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone
CID 107159927
(3-amino-4-methylpyrrolidin-1-yl)-(2-ethyl-5-methylpyrazol-3-yl)methanone
CID 103575707
(1,3-diethylpyrazol-5-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 66122379
(2,5-dimethylpyrazol-3-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119647002

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidin-4-yl]acetic acid (CID 79615523) is 2-[1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidin-4-yl]acetic acid is CCn1nc(C)cc1C(=O)N1CCC(CC(=O)O)CC1.
What is the InChIKey of 2-[1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidin-4-yl]acetic acid?
The InChIKey is CYCWTDMLTWBYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-3-17-12(8-10(2)15-17)14(20)16-6-4-11(5-7-16)9-13(18)19/h8,11H,3-7,9H2,1-2H3,(H,18,19).
What are the key properties of 2-[1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidin-4-yl]acetic acid?
2-[1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidin-4-yl]acetic acid has a molecular weight of 279.34 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidin-4-yl]acetic acid is sourced from PubChem (CID 79615523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).