2-[3-[[6-(dimethylamino)pyridine-3-carbonyl]amino]pyrazol-1-yl]-2-methylpropanoic acid

C15H19N5O3 — CID 138033282

IUPAC2-[3-[[6-(dimethylamino)pyridine-3-carbonyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
SMILESCN(C)c1ccc(C(=O)Nc2ccn(C(C)(C)C(=O)O)n2)cn1
InChIInChI=1S/C15H19N5O3/c1-15(2,14(22)23)20-8-7-11(18-20)17-13(21)10-5-6-12(16-9-10)19(3)4/h5-9H,1-4H3,(H,22,23)(H,17,18,21)
InChIKeyQQKGOGOVMRBJGD-UHFFFAOYSA-N
MW317.35 g/mol
LogP1.42
Rot. Bonds5

About 2-[3-[[6-(dimethylamino)pyridine-3-carbonyl]amino]pyrazol-1-yl]-2-methylpropanoic acid

2-[3-[[6-(dimethylamino)pyridine-3-carbonyl]amino]pyrazol-1-yl]-2-methylpropanoic acid (PubChem CID 138033282) has the molecular formula C15H19N5O3 and a molecular weight of 317.35 g/mol. Its IUPAC name is 2-[3-[[6-(dimethylamino)pyridine-3-carbonyl]amino]pyrazol-1-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[3-[[6-(dimethylamino)pyridine-3-carbonyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
PubChem CID138033282
Molecular FormulaC15H19N5O3
Molecular Weight317.35 g/mol
Exact Mass317.15
IUPAC Name2-[3-[[6-(dimethylamino)pyridine-3-carbonyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
SMILESCN(C)c1ccc(C(=O)Nc2ccn(C(C)(C)C(=O)O)n2)cn1
InChIInChI=1S/C15H19N5O3/c1-15(2,14(22)23)20-8-7-11(18-20)17-13(21)10-5-6-12(16-9-10)19(3)4/h5-9H,1-4H3,(H,22,23)(H,17,18,21)
InChIKeyQQKGOGOVMRBJGD-UHFFFAOYSA-N
XLogP1.42
TPSA100.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-[(6-methoxypyridine-3-carbonyl)amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 138032511
2-methyl-2-[3-(pyrimidine-5-carbonylamino)pyrazol-1-yl]propanoic acid
CID 154740869
2-[[6-(dimethylamino)pyridine-3-carbonyl]amino]pyridine-3-carboxylic acid
CID 63651994
3-[6-(dimethylamino)-3-pyridinyl]-3-oxopropanoic acid
CID 151348465
CID 140659718
CID 140659718
6-(dimethylamino)pyridine-3-carbonyl chloride
CID 45081550
2-[[6-(dimethylamino)pyridine-3-carbonyl]amino]-3-hydroxybutanoic acid
CID 43353682
1-[[6-(dimethylamino)pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 43169367
2-[6-(dimethylamino)-3-pyridinyl]-2-methylpropanoic acid
CID 130509890
[6-(dimethylamino)pyridine-3-carbonyl]-hydroxycarbamic acid
CID 174435499
N-cyclooctyl-6-(dimethylamino)pyridine-3-carboxamide
CID 39400603
6-(dimethylamino)-N-[(2R)-1-hydroxypropan-2-yl]pyridine-3-carboxamide
CID 79031520

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[6-(dimethylamino)pyridine-3-carbonyl]amino]pyrazol-1-yl]-2-methylpropanoic acid?
The IUPAC name of 2-[3-[[6-(dimethylamino)pyridine-3-carbonyl]amino]pyrazol-1-yl]-2-methylpropanoic acid (CID 138033282) is 2-[3-[[6-(dimethylamino)pyridine-3-carbonyl]amino]pyrazol-1-yl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[3-[[6-(dimethylamino)pyridine-3-carbonyl]amino]pyrazol-1-yl]-2-methylpropanoic acid?
The canonical SMILES for 2-[3-[[6-(dimethylamino)pyridine-3-carbonyl]amino]pyrazol-1-yl]-2-methylpropanoic acid is CN(C)c1ccc(C(=O)Nc2ccn(C(C)(C)C(=O)O)n2)cn1.
What is the InChIKey of 2-[3-[[6-(dimethylamino)pyridine-3-carbonyl]amino]pyrazol-1-yl]-2-methylpropanoic acid?
The InChIKey is QQKGOGOVMRBJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O3/c1-15(2,14(22)23)20-8-7-11(18-20)17-13(21)10-5-6-12(16-9-10)19(3)4/h5-9H,1-4H3,(H,22,23)(H,17,18,21).
What are the key properties of 2-[3-[[6-(dimethylamino)pyridine-3-carbonyl]amino]pyrazol-1-yl]-2-methylpropanoic acid?
2-[3-[[6-(dimethylamino)pyridine-3-carbonyl]amino]pyrazol-1-yl]-2-methylpropanoic acid has a molecular weight of 317.35 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[6-(dimethylamino)pyridine-3-carbonyl]amino]pyrazol-1-yl]-2-methylpropanoic acid is sourced from PubChem (CID 138033282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).