2-[5-(4-methylpiperidine-1-carbonyl)pyrazol-1-yl]acetic acid

C12H17N3O3 — CID 19482326

IUPAC2-[5-(4-methylpiperidine-1-carbonyl)pyrazol-1-yl]acetic acid
SMILESCC1CCN(C(=O)c2ccnn2CC(=O)O)CC1
InChIInChI=1S/C12H17N3O3/c1-9-3-6-14(7-4-9)12(18)10-2-5-13-15(10)8-11(16)17/h2,5,9H,3-4,6-8H2,1H3,(H,16,17)
InChIKeyTXIOCSJXNFFWMA-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.84
Rot. Bonds3

About 2-[5-(4-methylpiperidine-1-carbonyl)pyrazol-1-yl]acetic acid

2-[5-(4-methylpiperidine-1-carbonyl)pyrazol-1-yl]acetic acid (PubChem CID 19482326) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-[5-(4-methylpiperidine-1-carbonyl)pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(4-methylpiperidine-1-carbonyl)pyrazol-1-yl]acetic acid
PubChem CID19482326
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name2-[5-(4-methylpiperidine-1-carbonyl)pyrazol-1-yl]acetic acid
SMILESCC1CCN(C(=O)c2ccnn2CC(=O)O)CC1
InChIInChI=1S/C12H17N3O3/c1-9-3-6-14(7-4-9)12(18)10-2-5-13-15(10)8-11(16)17/h2,5,9H,3-4,6-8H2,1H3,(H,16,17)
InChIKeyTXIOCSJXNFFWMA-UHFFFAOYSA-N
XLogP0.84
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(carboxymethyl)pyrazole-3-carboxylic acid
CID 19485803
2-[5-(4-benzylpiperazine-1-carbonyl)pyrazol-1-yl]acetic acid
CID 19482322
2-[5-(2-phenylpiperidine-1-carbonyl)pyrazol-1-yl]acetic acid
CID 19482706
[(3S,5S)-3,5-dimethylpiperidin-1-yl]-(2-propylpyrazol-3-yl)methanone
CID 39855081
1-[2-(cyclobutylmethyl)pyrazole-3-carbonyl]piperidine-4-carboxylic acid
CID 154741120
2-[5-[4-[(3-methoxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-1-yl]acetic acid
CID 19482542
ethyl 1-(2-ethylpyrazole-3-carbonyl)piperidine-4-carboxylate
CID 35763507
3-[1-(2-ethylpyrazole-3-carbonyl)piperidin-4-yl]-1,4-dihydro-1,2,4-triazol-5-one
CID 138002521
2-[5-[7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carbonyl]pyrazol-1-yl]acetic acid
CID 19482767
azepan-1-yl-(2-propylpyrazol-3-yl)methanone
CID 35522312
[(3R)-3-(diethylamino)pyrrolidin-1-yl]-(2-ethylpyrazol-3-yl)methanone
CID 99961743
(2-ethylpyrazol-3-yl)-[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone
CID 70788415

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-methylpiperidine-1-carbonyl)pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[5-(4-methylpiperidine-1-carbonyl)pyrazol-1-yl]acetic acid (CID 19482326) is 2-[5-(4-methylpiperidine-1-carbonyl)pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[5-(4-methylpiperidine-1-carbonyl)pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[5-(4-methylpiperidine-1-carbonyl)pyrazol-1-yl]acetic acid is CC1CCN(C(=O)c2ccnn2CC(=O)O)CC1.
What is the InChIKey of 2-[5-(4-methylpiperidine-1-carbonyl)pyrazol-1-yl]acetic acid?
The InChIKey is TXIOCSJXNFFWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-9-3-6-14(7-4-9)12(18)10-2-5-13-15(10)8-11(16)17/h2,5,9H,3-4,6-8H2,1H3,(H,16,17).
What are the key properties of 2-[5-(4-methylpiperidine-1-carbonyl)pyrazol-1-yl]acetic acid?
2-[5-(4-methylpiperidine-1-carbonyl)pyrazol-1-yl]acetic acid has a molecular weight of 251.29 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-methylpiperidine-1-carbonyl)pyrazol-1-yl]acetic acid is sourced from PubChem (CID 19482326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).