1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methylpyrazole-4-carboxylic acid

C11H7ClF3N3O2 — CID 22014756

IUPAC1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methylpyrazole-4-carboxylic acid
SMILESCc1c(C(=O)O)cnn1-c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C11H7ClF3N3O2/c1-5-7(10(19)20)4-17-18(5)9-8(12)2-6(3-16-9)11(13,14)15/h2-4H,1H3,(H,19,20)
InChIKeyWTRKKIHDLXYSPV-UHFFFAOYSA-N
MW305.64 g/mol
LogP2.95
Rot. Bonds2

About 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methylpyrazole-4-carboxylic acid

1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methylpyrazole-4-carboxylic acid (PubChem CID 22014756) has the molecular formula C11H7ClF3N3O2 and a molecular weight of 305.64 g/mol. Its IUPAC name is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methylpyrazole-4-carboxylic acid
PubChem CID22014756
Molecular FormulaC11H7ClF3N3O2
Molecular Weight305.64 g/mol
Exact Mass305.02
IUPAC Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methylpyrazole-4-carboxylic acid
SMILESCc1c(C(=O)O)cnn1-c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C11H7ClF3N3O2/c1-5-7(10(19)20)4-17-18(5)9-8(12)2-6(3-16-9)11(13,14)15/h2-4H,1H3,(H,19,20)
InChIKeyWTRKKIHDLXYSPV-UHFFFAOYSA-N
XLogP2.95
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.64
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methylpyrazole-4-carboxylic acid?
The IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methylpyrazole-4-carboxylic acid (CID 22014756) is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methylpyrazole-4-carboxylic acid.
What is the SMILES notation for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methylpyrazole-4-carboxylic acid?
The canonical SMILES for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methylpyrazole-4-carboxylic acid is Cc1c(C(=O)O)cnn1-c1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methylpyrazole-4-carboxylic acid?
The InChIKey is WTRKKIHDLXYSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClF3N3O2/c1-5-7(10(19)20)4-17-18(5)9-8(12)2-6(3-16-9)11(13,14)15/h2-4H,1H3,(H,19,20).
What are the key properties of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methylpyrazole-4-carboxylic acid?
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methylpyrazole-4-carboxylic acid has a molecular weight of 305.64 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methylpyrazole-4-carboxylic acid is sourced from PubChem (CID 22014756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).