3-(4-pyrazol-1-ylpyrimidin-2-yl)propanoic acid

C10H10N4O2 — CID 23546002

IUPAC3-(4-pyrazol-1-ylpyrimidin-2-yl)propanoic acid
SMILESO=C(O)CCc1nccc(-n2cccn2)n1
InChIInChI=1S/C10H10N4O2/c15-10(16)3-2-8-11-6-4-9(13-8)14-7-1-5-12-14/h1,4-7H,2-3H2,(H,15,16)
InChIKeyYYYUQGZSUBQKSC-UHFFFAOYSA-N
MW218.22 g/mol
LogP0.68
Rot. Bonds4

About 3-(4-pyrazol-1-ylpyrimidin-2-yl)propanoic acid

3-(4-pyrazol-1-ylpyrimidin-2-yl)propanoic acid (PubChem CID 23546002) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 3-(4-pyrazol-1-ylpyrimidin-2-yl)propanoic acid.

Molecular Properties

Compound Name3-(4-pyrazol-1-ylpyrimidin-2-yl)propanoic acid
PubChem CID23546002
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Name3-(4-pyrazol-1-ylpyrimidin-2-yl)propanoic acid
SMILESO=C(O)CCc1nccc(-n2cccn2)n1
InChIInChI=1S/C10H10N4O2/c15-10(16)3-2-8-11-6-4-9(13-8)14-7-1-5-12-14/h1,4-7H,2-3H2,(H,15,16)
InChIKeyYYYUQGZSUBQKSC-UHFFFAOYSA-N
XLogP0.68
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-((1,2,4)Triazolo(1,5-a)pyrimidin-2-yl)acetic acid
CID 39870222
3-(Pyrimidin-2-yl)propanoic acid
CID 5152885
3-((1,2,4)Triazolo(1,5-a)pyrimidin-2-yl)propanoic acid
CID 25248712
(2S)-3-[(2-amino-6-pyrazol-1-ylpyrimidin-4-yl)-methylamino]-2-methylpropanoic acid
CID 164637425
1-(5-Fluoro-4-pyrazol-1-ylpyrimidin-2-yl)piperidine-4-carboxylic acid
CID 172581508
Pyrazolo[1,5-a]pyrimidine;2,2,2-trifluoroacetic acid
CID 172721149
5-(2-Pyrimidyl)tetrazole-2-acetic acid
CID 101881976
1-Pyrazolo[1,5-a]pyrimidin-5-yl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 115372072
(3S,4S)-1-(2-amino-6-pyrazol-1-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122063804
4-[(6-Pyrazol-1-ylpyrazin-2-yl)amino]butanoic acid;2,2,2-trifluoroacetic acid
CID 166237591
1-(6-(1H-pyrazol-1-yl)pyrimidin-4-yl)piperidine-3-carboxylic acid
CID 71778751
2-(4-Pyrazol-1-ylpyrimidin-2-yl)sulfanylacetic acid
CID 9813446

Frequently Asked Questions

What is the IUPAC name of 3-(4-pyrazol-1-ylpyrimidin-2-yl)propanoic acid?
The IUPAC name of 3-(4-pyrazol-1-ylpyrimidin-2-yl)propanoic acid (CID 23546002) is 3-(4-pyrazol-1-ylpyrimidin-2-yl)propanoic acid.
What is the SMILES notation for 3-(4-pyrazol-1-ylpyrimidin-2-yl)propanoic acid?
The canonical SMILES for 3-(4-pyrazol-1-ylpyrimidin-2-yl)propanoic acid is O=C(O)CCc1nccc(-n2cccn2)n1.
What is the InChIKey of 3-(4-pyrazol-1-ylpyrimidin-2-yl)propanoic acid?
The InChIKey is YYYUQGZSUBQKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2/c15-10(16)3-2-8-11-6-4-9(13-8)14-7-1-5-12-14/h1,4-7H,2-3H2,(H,15,16).
What are the key properties of 3-(4-pyrazol-1-ylpyrimidin-2-yl)propanoic acid?
3-(4-pyrazol-1-ylpyrimidin-2-yl)propanoic acid has a molecular weight of 218.22 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-pyrazol-1-ylpyrimidin-2-yl)propanoic acid is sourced from PubChem (CID 23546002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).