2-[4-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]pyrazol-1-yl]acetic acid

C12H16N4O3 — CID 106315758

IUPAC2-[4-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]pyrazol-1-yl]acetic acid
SMILESCC1=CCCN(C(=O)Nc2cnn(CC(=O)O)c2)C1
InChIInChI=1S/C12H16N4O3/c1-9-3-2-4-15(6-9)12(19)14-10-5-13-16(7-10)8-11(17)18/h3,5,7H,2,4,6,8H2,1H3,(H,14,19)(H,17,18)
InChIKeyFGBFIARGXKXXBK-UHFFFAOYSA-N
MW264.28 g/mol
LogP1.15
Rot. Bonds3

About 2-[4-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]pyrazol-1-yl]acetic acid

2-[4-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]pyrazol-1-yl]acetic acid (PubChem CID 106315758) has the molecular formula C12H16N4O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is 2-[4-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]pyrazol-1-yl]acetic acid
PubChem CID106315758
Molecular FormulaC12H16N4O3
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC Name2-[4-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]pyrazol-1-yl]acetic acid
SMILESCC1=CCCN(C(=O)Nc2cnn(CC(=O)O)c2)C1
InChIInChI=1S/C12H16N4O3/c1-9-3-2-4-15(6-9)12(19)14-10-5-13-16(7-10)8-11(17)18/h3,5,7H,2,4,6,8H2,1H3,(H,14,19)(H,17,18)
InChIKeyFGBFIARGXKXXBK-UHFFFAOYSA-N
XLogP1.15
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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-[(4-ethyl-4-methylpiperidine-1-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 63162069
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
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-[(2,2-dimethylcyclopropanecarbonyl)amino]pyrazol-1-yl]acetic acid
CID 107000358
2-[4-[(2,4-dimethylpiperidine-1-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 62330404
2-[4-[(2,2-difluoroacetyl)amino]pyrazol-1-yl]acetic acid
CID 103513201

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]pyrazol-1-yl]acetic acid (CID 106315758) is 2-[4-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]pyrazol-1-yl]acetic acid is CC1=CCCN(C(=O)Nc2cnn(CC(=O)O)c2)C1.
What is the InChIKey of 2-[4-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]pyrazol-1-yl]acetic acid?
The InChIKey is FGBFIARGXKXXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c1-9-3-2-4-15(6-9)12(19)14-10-5-13-16(7-10)8-11(17)18/h3,5,7H,2,4,6,8H2,1H3,(H,14,19)(H,17,18).
What are the key properties of 2-[4-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]pyrazol-1-yl]acetic acid?
2-[4-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]pyrazol-1-yl]acetic acid has a molecular weight of 264.28 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 106315758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).