5-chloro-3-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbaldehyde

C11H7ClF3N3O — CID 43328187

IUPAC5-chloro-3-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbaldehyde
SMILESCc1nn(-c2ccc(C(F)(F)F)cn2)c(Cl)c1C=O
InChIInChI=1S/C11H7ClF3N3O/c1-6-8(5-19)10(12)18(17-6)9-3-2-7(4-16-9)11(13,14)15/h2-5H,1H3
InChIKeyOMDMYNDUZBOOMN-UHFFFAOYSA-N
MW289.64 g/mol
LogP3.06
Rot. Bonds2

About 5-chloro-3-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbaldehyde

5-chloro-3-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbaldehyde (PubChem CID 43328187) has the molecular formula C11H7ClF3N3O and a molecular weight of 289.64 g/mol. Its IUPAC name is 5-chloro-3-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbaldehyde.

Molecular Properties

Compound Name5-chloro-3-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbaldehyde
PubChem CID43328187
Molecular FormulaC11H7ClF3N3O
Molecular Weight289.64 g/mol
Exact Mass289.02
IUPAC Name5-chloro-3-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbaldehyde
SMILESCc1nn(-c2ccc(C(F)(F)F)cn2)c(Cl)c1C=O
InChIInChI=1S/C11H7ClF3N3O/c1-6-8(5-19)10(12)18(17-6)9-3-2-7(4-16-9)11(13,14)15/h2-5H,1H3
InChIKeyOMDMYNDUZBOOMN-UHFFFAOYSA-N
XLogP3.06
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.64
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbaldehyde?
The IUPAC name of 5-chloro-3-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbaldehyde (CID 43328187) is 5-chloro-3-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbaldehyde.
What is the SMILES notation for 5-chloro-3-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbaldehyde?
The canonical SMILES for 5-chloro-3-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbaldehyde is Cc1nn(-c2ccc(C(F)(F)F)cn2)c(Cl)c1C=O.
What is the InChIKey of 5-chloro-3-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbaldehyde?
The InChIKey is OMDMYNDUZBOOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClF3N3O/c1-6-8(5-19)10(12)18(17-6)9-3-2-7(4-16-9)11(13,14)15/h2-5H,1H3.
What are the key properties of 5-chloro-3-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbaldehyde?
5-chloro-3-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbaldehyde has a molecular weight of 289.64 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbaldehyde is sourced from PubChem (CID 43328187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).