2-methyl-2-[3-(pyrimidine-5-carbonylamino)pyrazol-1-yl]propanoic acid

C12H13N5O3 — CID 154740869

IUPAC2-methyl-2-[3-(pyrimidine-5-carbonylamino)pyrazol-1-yl]propanoic acid
SMILESCC(C)(C(=O)O)n1ccc(NC(=O)c2cncnc2)n1
InChIInChI=1S/C12H13N5O3/c1-12(2,11(19)20)17-4-3-9(16-17)15-10(18)8-5-13-7-14-6-8/h3-7H,1-2H3,(H,19,20)(H,15,16,18)
InChIKeyUTFSWHABTDQLPV-UHFFFAOYSA-N
MW275.27 g/mol
LogP0.75
Rot. Bonds4

About 2-methyl-2-[3-(pyrimidine-5-carbonylamino)pyrazol-1-yl]propanoic acid

2-methyl-2-[3-(pyrimidine-5-carbonylamino)pyrazol-1-yl]propanoic acid (PubChem CID 154740869) has the molecular formula C12H13N5O3 and a molecular weight of 275.27 g/mol. Its IUPAC name is 2-methyl-2-[3-(pyrimidine-5-carbonylamino)pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[3-(pyrimidine-5-carbonylamino)pyrazol-1-yl]propanoic acid
PubChem CID154740869
Molecular FormulaC12H13N5O3
Molecular Weight275.27 g/mol
Exact Mass275.10
IUPAC Name2-methyl-2-[3-(pyrimidine-5-carbonylamino)pyrazol-1-yl]propanoic acid
SMILESCC(C)(C(=O)O)n1ccc(NC(=O)c2cncnc2)n1
InChIInChI=1S/C12H13N5O3/c1-12(2,11(19)20)17-4-3-9(16-17)15-10(18)8-5-13-7-14-6-8/h3-7H,1-2H3,(H,19,20)(H,15,16,18)
InChIKeyUTFSWHABTDQLPV-UHFFFAOYSA-N
XLogP0.75
TPSA110.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-[[6-(dimethylamino)pyridine-3-carbonyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 138033282
2-[3-[(6-methoxypyridine-3-carbonyl)amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 138032511
N-(1-ethylpyrazol-3-yl)pyridine-3-carboxamide
CID 35286222
2-[3-[[2-(2H-indazol-3-yl)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 154740868
5-bromo-N-(1-methylpyrazol-3-yl)pyridine-3-carboxamide
CID 18152573
N-methylpyrimidine-5-carboxamide;2,2,2-trifluoroacetic acid
CID 175748264
N-(4-acetylphenyl)pyrimidine-5-carboxamide
CID 110466848
4-tert-butyl-N-pyrimidin-5-ylbenzamide
CID 76848988
N-methylpyrimidine-5-carboxamide
CID 23534458
4-tert-butyl-N-[1-(cyanomethyl)pyrazol-3-yl]benzamide
CID 95754984
2-[4-[(4-tert-butylbenzoyl)amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696583
4-hydroxy-3-(pyrimidine-5-carbonylamino)benzoic acid
CID 107264598

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[3-(pyrimidine-5-carbonylamino)pyrazol-1-yl]propanoic acid?
The IUPAC name of 2-methyl-2-[3-(pyrimidine-5-carbonylamino)pyrazol-1-yl]propanoic acid (CID 154740869) is 2-methyl-2-[3-(pyrimidine-5-carbonylamino)pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 2-methyl-2-[3-(pyrimidine-5-carbonylamino)pyrazol-1-yl]propanoic acid?
The canonical SMILES for 2-methyl-2-[3-(pyrimidine-5-carbonylamino)pyrazol-1-yl]propanoic acid is CC(C)(C(=O)O)n1ccc(NC(=O)c2cncnc2)n1.
What is the InChIKey of 2-methyl-2-[3-(pyrimidine-5-carbonylamino)pyrazol-1-yl]propanoic acid?
The InChIKey is UTFSWHABTDQLPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O3/c1-12(2,11(19)20)17-4-3-9(16-17)15-10(18)8-5-13-7-14-6-8/h3-7H,1-2H3,(H,19,20)(H,15,16,18).
What are the key properties of 2-methyl-2-[3-(pyrimidine-5-carbonylamino)pyrazol-1-yl]propanoic acid?
2-methyl-2-[3-(pyrimidine-5-carbonylamino)pyrazol-1-yl]propanoic acid has a molecular weight of 275.27 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[3-(pyrimidine-5-carbonylamino)pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 154740869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).