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

C12H8ClFN4 — CID 55172408

IUPAC4-chloro-1-[(4-fluorophenyl)methyl]pyrazolo[5,4-d]pyrimidine
SMILESFc1ccc(Cn2ncc3c(Cl)ncnc32)cc1
InChIInChI=1S/C12H8ClFN4/c13-11-10-5-17-18(12(10)16-7-15-11)6-8-1-3-9(14)4-2-8/h1-5,7H,6H2
InChIKeyDLHDRLQSRBEZRS-UHFFFAOYSA-N
MW262.68 g/mol
LogP2.67
Rot. Bonds2

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

4-chloro-1-[(4-fluorophenyl)methyl]pyrazolo[5,4-d]pyrimidine (PubChem CID 55172408) has the molecular formula C12H8ClFN4 and a molecular weight of 262.68 g/mol. Its IUPAC name is 4-chloro-1-[(4-fluorophenyl)methyl]pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-1-[(4-fluorophenyl)methyl]pyrazolo[5,4-d]pyrimidine
PubChem CID55172408
Molecular FormulaC12H8ClFN4
Molecular Weight262.68 g/mol
Exact Mass262.04
IUPAC Name4-chloro-1-[(4-fluorophenyl)methyl]pyrazolo[5,4-d]pyrimidine
SMILESFc1ccc(Cn2ncc3c(Cl)ncnc32)cc1
InChIInChI=1S/C12H8ClFN4/c13-11-10-5-17-18(12(10)16-7-15-11)6-8-1-3-9(14)4-2-8/h1-5,7H,6H2
InChIKeyDLHDRLQSRBEZRS-UHFFFAOYSA-N
XLogP2.67
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.68
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[(4-fluorophenyl)methyl]pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-chloro-1-[(4-fluorophenyl)methyl]pyrazolo[5,4-d]pyrimidine (CID 55172408) is 4-chloro-1-[(4-fluorophenyl)methyl]pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-chloro-1-[(4-fluorophenyl)methyl]pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-chloro-1-[(4-fluorophenyl)methyl]pyrazolo[5,4-d]pyrimidine is Fc1ccc(Cn2ncc3c(Cl)ncnc32)cc1.
What is the InChIKey of 4-chloro-1-[(4-fluorophenyl)methyl]pyrazolo[5,4-d]pyrimidine?
The InChIKey is DLHDRLQSRBEZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClFN4/c13-11-10-5-17-18(12(10)16-7-15-11)6-8-1-3-9(14)4-2-8/h1-5,7H,6H2.
What are the key properties of 4-chloro-1-[(4-fluorophenyl)methyl]pyrazolo[5,4-d]pyrimidine?
4-chloro-1-[(4-fluorophenyl)methyl]pyrazolo[5,4-d]pyrimidine has a molecular weight of 262.68 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[(4-fluorophenyl)methyl]pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 55172408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).