4-chloro-1-methyl-6-(trifluoromethyl)pyrazolo[5,4-d]pyrimidine

C7H4ClF3N4 — CID 134587727

IUPAC4-chloro-1-methyl-6-(trifluoromethyl)pyrazolo[5,4-d]pyrimidine
SMILESCn1ncc2c(Cl)nc(C(F)(F)F)nc21
InChIInChI=1S/C7H4ClF3N4/c1-15-5-3(2-12-15)4(8)13-6(14-5)7(9,10)11/h2H,1H3
InChIKeyIKPPZQNNQDSFHK-UHFFFAOYSA-N
MW236.58 g/mol
LogP2.04
Rot. Bonds

About 4-chloro-1-methyl-6-(trifluoromethyl)pyrazolo[5,4-d]pyrimidine

4-chloro-1-methyl-6-(trifluoromethyl)pyrazolo[5,4-d]pyrimidine (PubChem CID 134587727) has the molecular formula C7H4ClF3N4 and a molecular weight of 236.58 g/mol. Its IUPAC name is 4-chloro-1-methyl-6-(trifluoromethyl)pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-1-methyl-6-(trifluoromethyl)pyrazolo[5,4-d]pyrimidine
PubChem CID134587727
Molecular FormulaC7H4ClF3N4
Molecular Weight236.58 g/mol
Exact Mass236.01
IUPAC Name4-chloro-1-methyl-6-(trifluoromethyl)pyrazolo[5,4-d]pyrimidine
SMILESCn1ncc2c(Cl)nc(C(F)(F)F)nc21
InChIInChI=1S/C7H4ClF3N4/c1-15-5-3(2-12-15)4(8)13-6(14-5)7(9,10)11/h2H,1H3
InChIKeyIKPPZQNNQDSFHK-UHFFFAOYSA-N
XLogP2.04
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.58
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methyl-6-(trifluoromethyl)pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-chloro-1-methyl-6-(trifluoromethyl)pyrazolo[5,4-d]pyrimidine (CID 134587727) is 4-chloro-1-methyl-6-(trifluoromethyl)pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-chloro-1-methyl-6-(trifluoromethyl)pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-chloro-1-methyl-6-(trifluoromethyl)pyrazolo[5,4-d]pyrimidine is Cn1ncc2c(Cl)nc(C(F)(F)F)nc21.
What is the InChIKey of 4-chloro-1-methyl-6-(trifluoromethyl)pyrazolo[5,4-d]pyrimidine?
The InChIKey is IKPPZQNNQDSFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF3N4/c1-15-5-3(2-12-15)4(8)13-6(14-5)7(9,10)11/h2H,1H3.
What are the key properties of 4-chloro-1-methyl-6-(trifluoromethyl)pyrazolo[5,4-d]pyrimidine?
4-chloro-1-methyl-6-(trifluoromethyl)pyrazolo[5,4-d]pyrimidine has a molecular weight of 236.58 g/mol, XLogP of 2.04, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methyl-6-(trifluoromethyl)pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 134587727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).