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

C11H10ClN3O2 — CID 150087944

IUPAC2-(4-chloro-5-methyl-3-pyridin-3-ylpyrazol-1-yl)acetic acid
SMILESCc1c(Cl)c(-c2cccnc2)nn1CC(=O)O
InChIInChI=1S/C11H10ClN3O2/c1-7-10(12)11(8-3-2-4-13-5-8)14-15(7)6-9(16)17/h2-5H,6H2,1H3,(H,16,17)
InChIKeyDSPXJZSHCSEKKX-UHFFFAOYSA-N
MW251.67 g/mol
LogP1.99
Rot. Bonds3

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

2-(4-chloro-5-methyl-3-pyridin-3-ylpyrazol-1-yl)acetic acid (PubChem CID 150087944) has the molecular formula C11H10ClN3O2 and a molecular weight of 251.67 g/mol. Its IUPAC name is 2-(4-chloro-5-methyl-3-pyridin-3-ylpyrazol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(4-chloro-5-methyl-3-pyridin-3-ylpyrazol-1-yl)acetic acid
PubChem CID150087944
Molecular FormulaC11H10ClN3O2
Molecular Weight251.67 g/mol
Exact Mass251.05
IUPAC Name2-(4-chloro-5-methyl-3-pyridin-3-ylpyrazol-1-yl)acetic acid
SMILESCc1c(Cl)c(-c2cccnc2)nn1CC(=O)O
InChIInChI=1S/C11H10ClN3O2/c1-7-10(12)11(8-3-2-4-13-5-8)14-15(7)6-9(16)17/h2-5H,6H2,1H3,(H,16,17)
InChIKeyDSPXJZSHCSEKKX-UHFFFAOYSA-N
XLogP1.99
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.67
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(4-chloro-5-methyl-3-phenylpyrazol-1-yl)acetate
CID 59813948
2-[4-chloro-5-methyl-3-(1,3-oxazol-2-yl)pyrazol-1-yl]acetic acid
CID 59813981
2-(5-amino-3-pyridin-3-ylpyrazol-1-yl)acetic acid
CID 121214144
2-(3-carbamoyl-5-pyridin-3-ylpyrazol-1-yl)acetic acid
CID 135318152
2-(3-pyridin-3-yl-1,2,4-triazol-1-yl)acetic acid
CID 82282721
3-[4-bromo-1-(2-chloroethyl)-5-methylpyrazol-3-yl]pyridine
CID 121211526
2-(3-acetyl-5-pyridin-3-ylindazol-1-yl)acetic acid
CID 126623066
1-propyl-3-pyridin-3-ylpyrazole-4-carboxylic acid
CID 61266867
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-pyridin-3-ylacetamide
CID 744105
2-(4-bromo-5-methyl-3-pyridin-3-ylpyrazol-1-yl)ethanamine
CID 83665733
4-(1-oxo-4-pyridin-3-ylphthalazin-2-yl)butanoyl chloride
CID 10314393
1-(2-methylphenyl)-3-pyridin-3-ylpyrazole-4-carboxylic acid
CID 43324353

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-5-methyl-3-pyridin-3-ylpyrazol-1-yl)acetic acid?
The IUPAC name of 2-(4-chloro-5-methyl-3-pyridin-3-ylpyrazol-1-yl)acetic acid (CID 150087944) is 2-(4-chloro-5-methyl-3-pyridin-3-ylpyrazol-1-yl)acetic acid.
What is the SMILES notation for 2-(4-chloro-5-methyl-3-pyridin-3-ylpyrazol-1-yl)acetic acid?
The canonical SMILES for 2-(4-chloro-5-methyl-3-pyridin-3-ylpyrazol-1-yl)acetic acid is Cc1c(Cl)c(-c2cccnc2)nn1CC(=O)O.
What is the InChIKey of 2-(4-chloro-5-methyl-3-pyridin-3-ylpyrazol-1-yl)acetic acid?
The InChIKey is DSPXJZSHCSEKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O2/c1-7-10(12)11(8-3-2-4-13-5-8)14-15(7)6-9(16)17/h2-5H,6H2,1H3,(H,16,17).
What are the key properties of 2-(4-chloro-5-methyl-3-pyridin-3-ylpyrazol-1-yl)acetic acid?
2-(4-chloro-5-methyl-3-pyridin-3-ylpyrazol-1-yl)acetic acid has a molecular weight of 251.67 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-5-methyl-3-pyridin-3-ylpyrazol-1-yl)acetic acid is sourced from PubChem (CID 150087944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).