1-[1-(3,5-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]pyrazole-4-carboxylic acid

C14H21N3O3 — CID 19622428

IUPAC1-[1-(3,5-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]pyrazole-4-carboxylic acid
SMILESCC1CC(C)CN(C(=O)C(C)n2cc(C(=O)O)cn2)C1
InChIInChI=1S/C14H21N3O3/c1-9-4-10(2)7-16(6-9)13(18)11(3)17-8-12(5-15-17)14(19)20/h5,8-11H,4,6-7H2,1-3H3,(H,19,20)
InChIKeyKKNUGLXMOZXHSK-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.65
Rot. Bonds3

About 1-[1-(3,5-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]pyrazole-4-carboxylic acid

1-[1-(3,5-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]pyrazole-4-carboxylic acid (PubChem CID 19622428) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-[1-(3,5-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[1-(3,5-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]pyrazole-4-carboxylic acid
PubChem CID19622428
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name1-[1-(3,5-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]pyrazole-4-carboxylic acid
SMILESCC1CC(C)CN(C(=O)C(C)n2cc(C(=O)O)cn2)C1
InChIInChI=1S/C14H21N3O3/c1-9-4-10(2)7-16(6-9)13(18)11(3)17-8-12(5-15-17)14(19)20/h5,8-11H,4,6-7H2,1-3H3,(H,19,20)
InChIKeyKKNUGLXMOZXHSK-UHFFFAOYSA-N
XLogP1.65
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1-oxopropan-2-yl]pyrazole-4-carboxylic acid
CID 19470992
5-methyl-1-(1-propan-2-ylpyrazole-4-carbonyl)piperidine-3-carboxylic acid
CID 122117281
2-[4-(3-methylpiperidine-1-carbonyl)pyrazol-1-yl]propanoic acid
CID 19622063
(2S)-2-(4-bromopyrazol-1-yl)-1-(4-methylpiperidin-1-yl)propan-1-one
CID 35523203
(2S)-1-[(3R)-3-methylpiperidin-1-yl]-2-(4-phenylpyrazol-1-yl)propan-1-one
CID 100830764
1,2-bis(3,5-dimethylpiperidin-1-yl)propan-1-one
CID 134062663
1-(aziridin-1-yl)-2-(4-bromopyrazol-1-yl)propan-1-one
CID 130734809
1-[1-[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]-1-oxopropan-2-yl]pyrazole-4-carboxylic acid
CID 19504984
1-butan-2-ylpyrazole-4-carboxylic acid
CID 61272060
1-[1-(3,5-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]piperidine-4-carboxylic acid
CID 119907170
2-(4-hydroxypyrazol-1-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 155928497
2-(4-aminopyrazol-1-yl)-1-piperidin-1-ylpropan-1-one
CID 43116728

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,5-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]pyrazole-4-carboxylic acid?
The IUPAC name of 1-[1-(3,5-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]pyrazole-4-carboxylic acid (CID 19622428) is 1-[1-(3,5-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-[1-(3,5-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]pyrazole-4-carboxylic acid?
The canonical SMILES for 1-[1-(3,5-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]pyrazole-4-carboxylic acid is CC1CC(C)CN(C(=O)C(C)n2cc(C(=O)O)cn2)C1.
What is the InChIKey of 1-[1-(3,5-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]pyrazole-4-carboxylic acid?
The InChIKey is KKNUGLXMOZXHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-9-4-10(2)7-16(6-9)13(18)11(3)17-8-12(5-15-17)14(19)20/h5,8-11H,4,6-7H2,1-3H3,(H,19,20).
What are the key properties of 1-[1-(3,5-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]pyrazole-4-carboxylic acid?
1-[1-(3,5-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]pyrazole-4-carboxylic acid has a molecular weight of 279.34 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,5-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 19622428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).