1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidine-3-carboxylic acid

C15H23N3O3 — CID 43355851

IUPAC1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidine-3-carboxylic acid
SMILESCc1nn(C)c(C)c1CCC(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C15H23N3O3/c1-10-13(11(2)17(3)16-10)6-7-14(19)18-8-4-5-12(9-18)15(20)21/h12H,4-9H2,1-3H3,(H,20,21)
InChIKeyHGMGFVASZJABQA-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.29
Rot. Bonds4

About 1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidine-3-carboxylic acid

1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidine-3-carboxylic acid (PubChem CID 43355851) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidine-3-carboxylic acid
PubChem CID43355851
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidine-3-carboxylic acid
SMILESCc1nn(C)c(C)c1CCC(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C15H23N3O3/c1-10-13(11(2)17(3)16-10)6-7-14(19)18-8-4-5-12(9-18)15(20)21/h12H,4-9H2,1-3H3,(H,20,21)
InChIKeyHGMGFVASZJABQA-UHFFFAOYSA-N
XLogP1.29
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanoic acid
CID 3157816
5-{methyl[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]amino}-5-oxopentanoic acid
CID 4061705
3-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)propanoic acid
CID 1084875
Methyl 2-[4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]thiomorpholin-3-yl]acetate
CID 71874626
2-methyl-3-(trimethyl-1H-pyrazol-4-yl)propanoic acid
CID 23005992
3-[4-(2-carboxyethyl)-3,5-dimethyl-1H-pyrazol-1-yl]propanoic acid
CID 25323871
3-[1-(ethoxymethyl)-3,5-dimethyl-1H-pyrazol-4-yl]-2-methylpropanoic acid
CID 121553718
1-[4-(2-methoxyethyl)piperidino]-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)-1-propanone
CID 53150916
(3S*,4S*)-4-methyl-1-[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanoyl]piperidine-3,4-diol
CID 72837276
1-(4-Acetylpiperazin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 34840010
N,N-diethyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 53528011
(3S)-1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidine-3-carboxamide
CID 97065153

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidine-3-carboxylic acid (CID 43355851) is 1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidine-3-carboxylic acid is Cc1nn(C)c(C)c1CCC(=O)N1CCCC(C(=O)O)C1.
What is the InChIKey of 1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidine-3-carboxylic acid?
The InChIKey is HGMGFVASZJABQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-10-13(11(2)17(3)16-10)6-7-14(19)18-8-4-5-12(9-18)15(20)21/h12H,4-9H2,1-3H3,(H,20,21).
What are the key properties of 1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidine-3-carboxylic acid?
1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidine-3-carboxylic acid has a molecular weight of 293.37 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 43355851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).