7-chloro-1,3-dimethyl-5-phenylpyrazolo[4,5-d]pyrimidine

C13H11ClN4 — CID 14006557

IUPAC7-chloro-1,3-dimethyl-5-phenylpyrazolo[4,5-d]pyrimidine
SMILESCc1nn(C)c2c(Cl)nc(-c3ccccc3)nc12
InChIInChI=1S/C13H11ClN4/c1-8-10-11(18(2)17-8)12(14)16-13(15-10)9-6-4-3-5-7-9/h3-7H,1-2H3
InChIKeyUIFIEFKMOAASOS-UHFFFAOYSA-N
MW258.71 g/mol
LogP2.99
Rot. Bonds1

About 7-chloro-1,3-dimethyl-5-phenylpyrazolo[4,5-d]pyrimidine

7-chloro-1,3-dimethyl-5-phenylpyrazolo[4,5-d]pyrimidine (PubChem CID 14006557) has the molecular formula C13H11ClN4 and a molecular weight of 258.71 g/mol. Its IUPAC name is 7-chloro-1,3-dimethyl-5-phenylpyrazolo[4,5-d]pyrimidine.

Molecular Properties

Compound Name7-chloro-1,3-dimethyl-5-phenylpyrazolo[4,5-d]pyrimidine
PubChem CID14006557
Molecular FormulaC13H11ClN4
Molecular Weight258.71 g/mol
Exact Mass258.07
IUPAC Name7-chloro-1,3-dimethyl-5-phenylpyrazolo[4,5-d]pyrimidine
SMILESCc1nn(C)c2c(Cl)nc(-c3ccccc3)nc12
InChIInChI=1S/C13H11ClN4/c1-8-10-11(18(2)17-8)12(14)16-13(15-10)9-6-4-3-5-7-9/h3-7H,1-2H3
InChIKeyUIFIEFKMOAASOS-UHFFFAOYSA-N
XLogP2.99
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-1,3-dimethyl-5-phenylpyrazolo[4,5-d]pyrimidine?
The IUPAC name of 7-chloro-1,3-dimethyl-5-phenylpyrazolo[4,5-d]pyrimidine (CID 14006557) is 7-chloro-1,3-dimethyl-5-phenylpyrazolo[4,5-d]pyrimidine.
What is the SMILES notation for 7-chloro-1,3-dimethyl-5-phenylpyrazolo[4,5-d]pyrimidine?
The canonical SMILES for 7-chloro-1,3-dimethyl-5-phenylpyrazolo[4,5-d]pyrimidine is Cc1nn(C)c2c(Cl)nc(-c3ccccc3)nc12.
What is the InChIKey of 7-chloro-1,3-dimethyl-5-phenylpyrazolo[4,5-d]pyrimidine?
The InChIKey is UIFIEFKMOAASOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4/c1-8-10-11(18(2)17-8)12(14)16-13(15-10)9-6-4-3-5-7-9/h3-7H,1-2H3.
What are the key properties of 7-chloro-1,3-dimethyl-5-phenylpyrazolo[4,5-d]pyrimidine?
7-chloro-1,3-dimethyl-5-phenylpyrazolo[4,5-d]pyrimidine has a molecular weight of 258.71 g/mol, XLogP of 2.99, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1,3-dimethyl-5-phenylpyrazolo[4,5-d]pyrimidine is sourced from PubChem (CID 14006557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).