2-(4-chloro-5-methyl-3-pyrimidin-2-ylpyrazol-1-yl)acetic acid

C10H9ClN4O2 — CID 59813980

IUPAC2-(4-chloro-5-methyl-3-pyrimidin-2-ylpyrazol-1-yl)acetic acid
SMILESCc1c(Cl)c(-c2ncccn2)nn1CC(=O)O
InChIInChI=1S/C10H9ClN4O2/c1-6-8(11)9(10-12-3-2-4-13-10)14-15(6)5-7(16)17/h2-4H,5H2,1H3,(H,16,17)
InChIKeyHABQLSPDWDOEAI-UHFFFAOYSA-N
MW252.66 g/mol
LogP1.39
Rot. Bonds3

About 2-(4-chloro-5-methyl-3-pyrimidin-2-ylpyrazol-1-yl)acetic acid

2-(4-chloro-5-methyl-3-pyrimidin-2-ylpyrazol-1-yl)acetic acid (PubChem CID 59813980) has the molecular formula C10H9ClN4O2 and a molecular weight of 252.66 g/mol. Its IUPAC name is 2-(4-chloro-5-methyl-3-pyrimidin-2-ylpyrazol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(4-chloro-5-methyl-3-pyrimidin-2-ylpyrazol-1-yl)acetic acid
PubChem CID59813980
Molecular FormulaC10H9ClN4O2
Molecular Weight252.66 g/mol
Exact Mass252.04
IUPAC Name2-(4-chloro-5-methyl-3-pyrimidin-2-ylpyrazol-1-yl)acetic acid
SMILESCc1c(Cl)c(-c2ncccn2)nn1CC(=O)O
InChIInChI=1S/C10H9ClN4O2/c1-6-8(11)9(10-12-3-2-4-13-10)14-15(6)5-7(16)17/h2-4H,5H2,1H3,(H,16,17)
InChIKeyHABQLSPDWDOEAI-UHFFFAOYSA-N
XLogP1.39
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.66
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-5-methyl-3-pyrimidin-2-ylpyrazol-1-yl)acetic acid?
The IUPAC name of 2-(4-chloro-5-methyl-3-pyrimidin-2-ylpyrazol-1-yl)acetic acid (CID 59813980) is 2-(4-chloro-5-methyl-3-pyrimidin-2-ylpyrazol-1-yl)acetic acid.
What is the SMILES notation for 2-(4-chloro-5-methyl-3-pyrimidin-2-ylpyrazol-1-yl)acetic acid?
The canonical SMILES for 2-(4-chloro-5-methyl-3-pyrimidin-2-ylpyrazol-1-yl)acetic acid is Cc1c(Cl)c(-c2ncccn2)nn1CC(=O)O.
What is the InChIKey of 2-(4-chloro-5-methyl-3-pyrimidin-2-ylpyrazol-1-yl)acetic acid?
The InChIKey is HABQLSPDWDOEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4O2/c1-6-8(11)9(10-12-3-2-4-13-10)14-15(6)5-7(16)17/h2-4H,5H2,1H3,(H,16,17).
What are the key properties of 2-(4-chloro-5-methyl-3-pyrimidin-2-ylpyrazol-1-yl)acetic acid?
2-(4-chloro-5-methyl-3-pyrimidin-2-ylpyrazol-1-yl)acetic acid has a molecular weight of 252.66 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-5-methyl-3-pyrimidin-2-ylpyrazol-1-yl)acetic acid is sourced from PubChem (CID 59813980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).