5-(4-chloro-3,5-dimethylpyrazol-1-yl)furan-2-carboxylic acid

C10H9ClN2O3 — CID 62204924

IUPAC5-(4-chloro-3,5-dimethylpyrazol-1-yl)furan-2-carboxylic acid
SMILESCc1nn(-c2ccc(C(=O)O)o2)c(C)c1Cl
InChIInChI=1S/C10H9ClN2O3/c1-5-9(11)6(2)13(12-5)8-4-3-7(16-8)10(14)15/h3-4H,1-2H3,(H,14,15)
InChIKeyYMKHHYPYDDMFHD-UHFFFAOYSA-N
MW240.65 g/mol
LogP2.43
Rot. Bonds2

About 5-(4-chloro-3,5-dimethylpyrazol-1-yl)furan-2-carboxylic acid

5-(4-chloro-3,5-dimethylpyrazol-1-yl)furan-2-carboxylic acid (PubChem CID 62204924) has the molecular formula C10H9ClN2O3 and a molecular weight of 240.65 g/mol. Its IUPAC name is 5-(4-chloro-3,5-dimethylpyrazol-1-yl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(4-chloro-3,5-dimethylpyrazol-1-yl)furan-2-carboxylic acid
PubChem CID62204924
Molecular FormulaC10H9ClN2O3
Molecular Weight240.65 g/mol
Exact Mass240.03
IUPAC Name5-(4-chloro-3,5-dimethylpyrazol-1-yl)furan-2-carboxylic acid
SMILESCc1nn(-c2ccc(C(=O)O)o2)c(C)c1Cl
InChIInChI=1S/C10H9ClN2O3/c1-5-9(11)6(2)13(12-5)8-4-3-7(16-8)10(14)15/h3-4H,1-2H3,(H,14,15)
InChIKeyYMKHHYPYDDMFHD-UHFFFAOYSA-N
XLogP2.43
TPSA68.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.65
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-3,5-dimethylpyrazol-1-yl)furan-2-carboxylic acid?
The IUPAC name of 5-(4-chloro-3,5-dimethylpyrazol-1-yl)furan-2-carboxylic acid (CID 62204924) is 5-(4-chloro-3,5-dimethylpyrazol-1-yl)furan-2-carboxylic acid.
What is the SMILES notation for 5-(4-chloro-3,5-dimethylpyrazol-1-yl)furan-2-carboxylic acid?
The canonical SMILES for 5-(4-chloro-3,5-dimethylpyrazol-1-yl)furan-2-carboxylic acid is Cc1nn(-c2ccc(C(=O)O)o2)c(C)c1Cl.
What is the InChIKey of 5-(4-chloro-3,5-dimethylpyrazol-1-yl)furan-2-carboxylic acid?
The InChIKey is YMKHHYPYDDMFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O3/c1-5-9(11)6(2)13(12-5)8-4-3-7(16-8)10(14)15/h3-4H,1-2H3,(H,14,15).
What are the key properties of 5-(4-chloro-3,5-dimethylpyrazol-1-yl)furan-2-carboxylic acid?
5-(4-chloro-3,5-dimethylpyrazol-1-yl)furan-2-carboxylic acid has a molecular weight of 240.65 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-3,5-dimethylpyrazol-1-yl)furan-2-carboxylic acid is sourced from PubChem (CID 62204924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).