2-[1-[(2,5-dimethylpyrazol-3-yl)methyl]piperidin-4-yl]acetic acid

C13H21N3O2 — CID 25248527

IUPAC2-[1-[(2,5-dimethylpyrazol-3-yl)methyl]piperidin-4-yl]acetic acid
SMILESCc1cc(CN2CCC(CC(=O)O)CC2)n(C)n1
InChIInChI=1S/C13H21N3O2/c1-10-7-12(15(2)14-10)9-16-5-3-11(4-6-16)8-13(17)18/h7,11H,3-6,8-9H2,1-2H3,(H,17,18)
InChIKeyQPVVVGBQEXFLKV-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.42
Rot. Bonds4

About 2-[1-[(2,5-dimethylpyrazol-3-yl)methyl]piperidin-4-yl]acetic acid

2-[1-[(2,5-dimethylpyrazol-3-yl)methyl]piperidin-4-yl]acetic acid (PubChem CID 25248527) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[1-[(2,5-dimethylpyrazol-3-yl)methyl]piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2,5-dimethylpyrazol-3-yl)methyl]piperidin-4-yl]acetic acid
PubChem CID25248527
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-[1-[(2,5-dimethylpyrazol-3-yl)methyl]piperidin-4-yl]acetic acid
SMILESCc1cc(CN2CCC(CC(=O)O)CC2)n(C)n1
InChIInChI=1S/C13H21N3O2/c1-10-7-12(15(2)14-10)9-16-5-3-11(4-6-16)8-13(17)18/h7,11H,3-6,8-9H2,1-2H3,(H,17,18)
InChIKeyQPVVVGBQEXFLKV-UHFFFAOYSA-N
XLogP1.42
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,5-Dimethyl-1-pyrazolyl)-2-methylbutanoic acid
CID 45596943
(3R)-1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-prop-2-enylpiperidine-3-carboxylic acid
CID 97145406
3,3-dimethyl-5-[(3S)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]pentanoic acid
CID 164638209
1-[[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl]-4-piperidinylcarboxylic acid
CID 67460128
Methyl 1-[2-(3,5-dimethyl-1h-pyrazol-1-yl)ethyl]-4-oxopiperidine-3-carboxylic acid
CID 129771330
Methyl 1-[2-(3,5-dimethyl-1h-pyrazol-1-yl)ethyl]-4-oxopiperidine-3-carboxylate
CID 129771339
2-(1-{[1-Ethyl-3-(trifluoromethyl)pyrazol-5-yl]methyl}-4-piperidyl)acetic acid
CID 25248528
2-[1-[[1-Ethyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]piperidin-1-ium-4-yl]acetate
CID 42576715
2-Amino-6-borono-2-[1-[(2,5-dimethylpyrazol-3-yl)methyl]piperidin-4-yl]hexanoic acid
CID 54588311
trans-4-(3,5-Dimethyl-pyrazol-1-yl)-cyclohexanecarboxylic acid
CID 57517005
1-(1,5-Dimethylpyrazole-3-carbonyl)piperidine-3-carboxylic acid
CID 69067733
2-[1-(1,5-Dimethylpyrazole-3-carbonyl)piperidin-4-yl]acetic acid
CID 113263080

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2,5-dimethylpyrazol-3-yl)methyl]piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-[(2,5-dimethylpyrazol-3-yl)methyl]piperidin-4-yl]acetic acid (CID 25248527) is 2-[1-[(2,5-dimethylpyrazol-3-yl)methyl]piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[(2,5-dimethylpyrazol-3-yl)methyl]piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-[(2,5-dimethylpyrazol-3-yl)methyl]piperidin-4-yl]acetic acid is Cc1cc(CN2CCC(CC(=O)O)CC2)n(C)n1.
What is the InChIKey of 2-[1-[(2,5-dimethylpyrazol-3-yl)methyl]piperidin-4-yl]acetic acid?
The InChIKey is QPVVVGBQEXFLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-10-7-12(15(2)14-10)9-16-5-3-11(4-6-16)8-13(17)18/h7,11H,3-6,8-9H2,1-2H3,(H,17,18).
What are the key properties of 2-[1-[(2,5-dimethylpyrazol-3-yl)methyl]piperidin-4-yl]acetic acid?
2-[1-[(2,5-dimethylpyrazol-3-yl)methyl]piperidin-4-yl]acetic acid has a molecular weight of 251.33 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2,5-dimethylpyrazol-3-yl)methyl]piperidin-4-yl]acetic acid is sourced from PubChem (CID 25248527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).