1-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]pyrazole-4-carboxylic acid

C13H19N3O3 — CID 19622534

IUPAC1-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]pyrazole-4-carboxylic acid
SMILESCC1CCN(C(=O)CCn2cc(C(=O)O)cn2)CC1
InChIInChI=1S/C13H19N3O3/c1-10-2-5-15(6-3-10)12(17)4-7-16-9-11(8-14-16)13(18)19/h8-10H,2-7H2,1H3,(H,18,19)
InChIKeyNUHKEKLGKGAOTK-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.23
Rot. Bonds4

About 1-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]pyrazole-4-carboxylic acid

1-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]pyrazole-4-carboxylic acid (PubChem CID 19622534) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 1-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]pyrazole-4-carboxylic acid
PubChem CID19622534
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name1-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]pyrazole-4-carboxylic acid
SMILESCC1CCN(C(=O)CCn2cc(C(=O)O)cn2)CC1
InChIInChI=1S/C13H19N3O3/c1-10-2-5-15(6-3-10)12(17)4-7-16-9-11(8-14-16)13(18)19/h8-10H,2-7H2,1H3,(H,18,19)
InChIKeyNUHKEKLGKGAOTK-UHFFFAOYSA-N
XLogP1.23
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]pyrazole-4-carboxylic acid
CID 19622537
1-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]pyrazole-4-carboxylic acid
CID 19482886
1-[3-(2-methoxycarbonylpyrrolidin-1-yl)-3-oxopropyl]pyrazole-4-carboxylic acid
CID 19483260
1-[3-(cyclopropylamino)-3-oxopropyl]pyrazole-4-carboxylic acid
CID 19622515
1-[[1-[2-(dimethylamino)acetyl]piperidin-4-yl]methyl]pyrazole-4-carboxylic acid
CID 95826382
1-[[1-(2-methoxyacetyl)piperidin-4-yl]methyl]pyrazole-4-carboxylic acid
CID 95826381
1-[3-oxo-3-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propyl]pyrazole-4-carboxylic acid
CID 19483094
1-[3-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-3-oxopropyl]pyrazole-4-carboxylic acid
CID 19483079
1-[2-(1-methylpiperidin-2-yl)ethyl]pyrazole-4-carboxylic acid
CID 107912883
1-[3-(4-chloropyrazol-1-yl)propanoyl]pyrrolidine-3-carboxylic acid
CID 119354851
1-[3-[4-[(3S)-3-methylpiperidine-1-carbonyl]piperidin-1-yl]-3-oxopropyl]pyrazole-4-sulfonamide
CID 52510740
4-[[1-[3-(4-chloropyrazol-1-yl)propanoyl]pyrrolidin-3-yl]methyl]benzoic acid
CID 70739631

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]pyrazole-4-carboxylic acid?
The IUPAC name of 1-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]pyrazole-4-carboxylic acid (CID 19622534) is 1-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]pyrazole-4-carboxylic acid?
The canonical SMILES for 1-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]pyrazole-4-carboxylic acid is CC1CCN(C(=O)CCn2cc(C(=O)O)cn2)CC1.
What is the InChIKey of 1-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]pyrazole-4-carboxylic acid?
The InChIKey is NUHKEKLGKGAOTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-10-2-5-15(6-3-10)12(17)4-7-16-9-11(8-14-16)13(18)19/h8-10H,2-7H2,1H3,(H,18,19).
What are the key properties of 1-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]pyrazole-4-carboxylic acid?
1-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]pyrazole-4-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 19622534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).