2-[4-[[3-(methylaminomethyl)piperidine-1-carbonyl]amino]pyrazol-1-yl]acetic acid

C13H21N5O3 — CID 61408275

IUPAC2-[4-[[3-(methylaminomethyl)piperidine-1-carbonyl]amino]pyrazol-1-yl]acetic acid
SMILESCNCC1CCCN(C(=O)Nc2cnn(CC(=O)O)c2)C1
InChIInChI=1S/C13H21N5O3/c1-14-5-10-3-2-4-17(7-10)13(21)16-11-6-15-18(8-11)9-12(19)20/h6,8,10,14H,2-5,7,9H2,1H3,(H,16,21)(H,19,20)
InChIKeyIZRONBQXVVPLCO-UHFFFAOYSA-N
MW295.34 g/mol
LogP0.43
Rot. Bonds5

About 2-[4-[[3-(methylaminomethyl)piperidine-1-carbonyl]amino]pyrazol-1-yl]acetic acid

2-[4-[[3-(methylaminomethyl)piperidine-1-carbonyl]amino]pyrazol-1-yl]acetic acid (PubChem CID 61408275) has the molecular formula C13H21N5O3 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-[4-[[3-(methylaminomethyl)piperidine-1-carbonyl]amino]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[[3-(methylaminomethyl)piperidine-1-carbonyl]amino]pyrazol-1-yl]acetic acid
PubChem CID61408275
Molecular FormulaC13H21N5O3
Molecular Weight295.34 g/mol
Exact Mass295.16
IUPAC Name2-[4-[[3-(methylaminomethyl)piperidine-1-carbonyl]amino]pyrazol-1-yl]acetic acid
SMILESCNCC1CCCN(C(=O)Nc2cnn(CC(=O)O)c2)C1
InChIInChI=1S/C13H21N5O3/c1-14-5-10-3-2-4-17(7-10)13(21)16-11-6-15-18(8-11)9-12(19)20/h6,8,10,14H,2-5,7,9H2,1H3,(H,16,21)(H,19,20)
InChIKeyIZRONBQXVVPLCO-UHFFFAOYSA-N
XLogP0.43
TPSA99.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(4,4-dimethylazepane-1-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 65282174
2-[4-[(2-methylpyrrolidine-1-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 61207089
2-[4-[(4,4-dimethylpiperidine-1-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 62931716
2-[4-[(1-acetylpiperidine-3-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 61018636
2-[4-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonylamino)pyrazol-1-yl]acetic acid
CID 66370489
2-[4-[[cyclobutylmethyl(methyl)carbamoyl]amino]pyrazol-1-yl]acetic acid
CID 62856426
2-[4-[(2-methylpiperidine-1-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 61186790
2-[4-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 106315758
(1-ethylpyrazol-4-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119396309
2-[4-[(4-ethyl-4-methylpiperidine-1-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 63162069
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 111566301
N-cyclohexyl-2-[4-[3-(methylaminomethyl)piperidine-1-carbonyl]pyrazol-1-yl]acetamide;hydrochloride
CID 119397411

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[3-(methylaminomethyl)piperidine-1-carbonyl]amino]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[[3-(methylaminomethyl)piperidine-1-carbonyl]amino]pyrazol-1-yl]acetic acid (CID 61408275) is 2-[4-[[3-(methylaminomethyl)piperidine-1-carbonyl]amino]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[[3-(methylaminomethyl)piperidine-1-carbonyl]amino]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[[3-(methylaminomethyl)piperidine-1-carbonyl]amino]pyrazol-1-yl]acetic acid is CNCC1CCCN(C(=O)Nc2cnn(CC(=O)O)c2)C1.
What is the InChIKey of 2-[4-[[3-(methylaminomethyl)piperidine-1-carbonyl]amino]pyrazol-1-yl]acetic acid?
The InChIKey is IZRONBQXVVPLCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O3/c1-14-5-10-3-2-4-17(7-10)13(21)16-11-6-15-18(8-11)9-12(19)20/h6,8,10,14H,2-5,7,9H2,1H3,(H,16,21)(H,19,20).
What are the key properties of 2-[4-[[3-(methylaminomethyl)piperidine-1-carbonyl]amino]pyrazol-1-yl]acetic acid?
2-[4-[[3-(methylaminomethyl)piperidine-1-carbonyl]amino]pyrazol-1-yl]acetic acid has a molecular weight of 295.34 g/mol, XLogP of 0.43, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[3-(methylaminomethyl)piperidine-1-carbonyl]amino]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 61408275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).