2-[4-[(2,4-dimethylpiperidine-1-carbonyl)amino]pyrazol-1-yl]acetic acid

C13H20N4O3 — CID 62330404

IUPAC2-[4-[(2,4-dimethylpiperidine-1-carbonyl)amino]pyrazol-1-yl]acetic acid
SMILESCC1CCN(C(=O)Nc2cnn(CC(=O)O)c2)C(C)C1
InChIInChI=1S/C13H20N4O3/c1-9-3-4-17(10(2)5-9)13(20)15-11-6-14-16(7-11)8-12(18)19/h6-7,9-10H,3-5,8H2,1-2H3,(H,15,20)(H,18,19)
InChIKeyVLTNKHLNJPAGFT-UHFFFAOYSA-N
MW280.33 g/mol
LogP1.62
Rot. Bonds3

About 2-[4-[(2,4-dimethylpiperidine-1-carbonyl)amino]pyrazol-1-yl]acetic acid

2-[4-[(2,4-dimethylpiperidine-1-carbonyl)amino]pyrazol-1-yl]acetic acid (PubChem CID 62330404) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-[4-[(2,4-dimethylpiperidine-1-carbonyl)amino]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(2,4-dimethylpiperidine-1-carbonyl)amino]pyrazol-1-yl]acetic acid
PubChem CID62330404
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name2-[4-[(2,4-dimethylpiperidine-1-carbonyl)amino]pyrazol-1-yl]acetic acid
SMILESCC1CCN(C(=O)Nc2cnn(CC(=O)O)c2)C(C)C1
InChIInChI=1S/C13H20N4O3/c1-9-3-4-17(10(2)5-9)13(20)15-11-6-14-16(7-11)8-12(18)19/h6-7,9-10H,3-5,8H2,1-2H3,(H,15,20)(H,18,19)
InChIKeyVLTNKHLNJPAGFT-UHFFFAOYSA-N
XLogP1.62
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(2-methylpyrrolidine-1-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 61207089
2-[4-[(2-methylpiperidine-1-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 61186790
2-[4-[(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 102885009
2-[4-[(3-methylcyclopentyl)methylcarbamoylamino]pyrazol-1-yl]acetic acid
CID 107414546
2-[4-[(4-methylpiperidine-2-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 115867060
2-[4-[(4,4-dimethylpiperidine-1-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 62931716
2-[4-[(4,4-dimethylazepane-1-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 65282174
2-[4-[[(2R,5R)-5-methyloxolane-2-carbonyl]amino]pyrazol-1-yl]acetic acid
CID 138002028
2-[4-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 106315758
2-[4-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonylamino)pyrazol-1-yl]acetic acid
CID 66370489
2-[4-(propanoylamino)pyrazol-1-yl]acetic acid
CID 61018204
2-[4-[[3-(methylaminomethyl)piperidine-1-carbonyl]amino]pyrazol-1-yl]acetic acid
CID 61408275

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,4-dimethylpiperidine-1-carbonyl)amino]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[(2,4-dimethylpiperidine-1-carbonyl)amino]pyrazol-1-yl]acetic acid (CID 62330404) is 2-[4-[(2,4-dimethylpiperidine-1-carbonyl)amino]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[(2,4-dimethylpiperidine-1-carbonyl)amino]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[(2,4-dimethylpiperidine-1-carbonyl)amino]pyrazol-1-yl]acetic acid is CC1CCN(C(=O)Nc2cnn(CC(=O)O)c2)C(C)C1.
What is the InChIKey of 2-[4-[(2,4-dimethylpiperidine-1-carbonyl)amino]pyrazol-1-yl]acetic acid?
The InChIKey is VLTNKHLNJPAGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-9-3-4-17(10(2)5-9)13(20)15-11-6-14-16(7-11)8-12(18)19/h6-7,9-10H,3-5,8H2,1-2H3,(H,15,20)(H,18,19).
What are the key properties of 2-[4-[(2,4-dimethylpiperidine-1-carbonyl)amino]pyrazol-1-yl]acetic acid?
2-[4-[(2,4-dimethylpiperidine-1-carbonyl)amino]pyrazol-1-yl]acetic acid has a molecular weight of 280.33 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,4-dimethylpiperidine-1-carbonyl)amino]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 62330404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).