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

C11H16N4O3 — CID 61207089

IUPAC2-[4-[(2-methylpyrrolidine-1-carbonyl)amino]pyrazol-1-yl]acetic acid
SMILESCC1CCCN1C(=O)Nc1cnn(CC(=O)O)c1
InChIInChI=1S/C11H16N4O3/c1-8-3-2-4-15(8)11(18)13-9-5-12-14(6-9)7-10(16)17/h5-6,8H,2-4,7H2,1H3,(H,13,18)(H,16,17)
InChIKeyYMJALAGAXVMZBZ-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.98
Rot. Bonds3

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

2-[4-[(2-methylpyrrolidine-1-carbonyl)amino]pyrazol-1-yl]acetic acid (PubChem CID 61207089) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-[4-[(2-methylpyrrolidine-1-carbonyl)amino]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(2-methylpyrrolidine-1-carbonyl)amino]pyrazol-1-yl]acetic acid
PubChem CID61207089
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name2-[4-[(2-methylpyrrolidine-1-carbonyl)amino]pyrazol-1-yl]acetic acid
SMILESCC1CCCN1C(=O)Nc1cnn(CC(=O)O)c1
InChIInChI=1S/C11H16N4O3/c1-8-3-2-4-15(8)11(18)13-9-5-12-14(6-9)7-10(16)17/h5-6,8H,2-4,7H2,1H3,(H,13,18)(H,16,17)
InChIKeyYMJALAGAXVMZBZ-UHFFFAOYSA-N
XLogP0.98
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(2-methylpiperidine-1-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 61186790
2-[4-[(2,4-dimethylpiperidine-1-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 62330404
2-[4-[(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 102885009
2-[4-[[3-(methylaminomethyl)piperidine-1-carbonyl]amino]pyrazol-1-yl]acetic acid
CID 61408275
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-(cyclobutanecarbonylamino)pyrazol-1-yl]acetic acid
CID 61018747
2-[4-[[(2-methylpyrrolidine-1-carbonyl)amino]methyl]triazol-1-yl]acetic acid
CID 113314016
2-[4-[[cyclobutylmethyl(methyl)carbamoyl]amino]pyrazol-1-yl]acetic acid
CID 62856426
2-[4-[(1-acetylpiperidine-3-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 61018636
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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-methylpyrrolidine-1-carbonyl)amino]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[(2-methylpyrrolidine-1-carbonyl)amino]pyrazol-1-yl]acetic acid (CID 61207089) is 2-[4-[(2-methylpyrrolidine-1-carbonyl)amino]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[(2-methylpyrrolidine-1-carbonyl)amino]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[(2-methylpyrrolidine-1-carbonyl)amino]pyrazol-1-yl]acetic acid is CC1CCCN1C(=O)Nc1cnn(CC(=O)O)c1.
What is the InChIKey of 2-[4-[(2-methylpyrrolidine-1-carbonyl)amino]pyrazol-1-yl]acetic acid?
The InChIKey is YMJALAGAXVMZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-8-3-2-4-15(8)11(18)13-9-5-12-14(6-9)7-10(16)17/h5-6,8H,2-4,7H2,1H3,(H,13,18)(H,16,17).
What are the key properties of 2-[4-[(2-methylpyrrolidine-1-carbonyl)amino]pyrazol-1-yl]acetic acid?
2-[4-[(2-methylpyrrolidine-1-carbonyl)amino]pyrazol-1-yl]acetic acid has a molecular weight of 252.27 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-methylpyrrolidine-1-carbonyl)amino]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 61207089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).