7-chloro-5-(4-chlorophenyl)-1-methyl-3-propylpyrazolo[4,5-d]pyrimidine

C15H14Cl2N4 — CID 139219191

IUPAC7-chloro-5-(4-chlorophenyl)-1-methyl-3-propylpyrazolo[4,5-d]pyrimidine
SMILESCCCc1nn(C)c2c(Cl)nc(-c3ccc(Cl)cc3)nc12
InChIInChI=1S/C15H14Cl2N4/c1-3-4-11-12-13(21(2)20-11)14(17)19-15(18-12)9-5-7-10(16)8-6-9/h5-8H,3-4H2,1-2H3
InChIKeyMSUVWBSBIBXQHO-UHFFFAOYSA-N
MW321.21 g/mol
LogP4.29
Rot. Bonds3

About 7-chloro-5-(4-chlorophenyl)-1-methyl-3-propylpyrazolo[4,5-d]pyrimidine

7-chloro-5-(4-chlorophenyl)-1-methyl-3-propylpyrazolo[4,5-d]pyrimidine (PubChem CID 139219191) has the molecular formula C15H14Cl2N4 and a molecular weight of 321.21 g/mol. Its IUPAC name is 7-chloro-5-(4-chlorophenyl)-1-methyl-3-propylpyrazolo[4,5-d]pyrimidine.

Molecular Properties

Compound Name7-chloro-5-(4-chlorophenyl)-1-methyl-3-propylpyrazolo[4,5-d]pyrimidine
PubChem CID139219191
Molecular FormulaC15H14Cl2N4
Molecular Weight321.21 g/mol
Exact Mass320.06
IUPAC Name7-chloro-5-(4-chlorophenyl)-1-methyl-3-propylpyrazolo[4,5-d]pyrimidine
SMILESCCCc1nn(C)c2c(Cl)nc(-c3ccc(Cl)cc3)nc12
InChIInChI=1S/C15H14Cl2N4/c1-3-4-11-12-13(21(2)20-11)14(17)19-15(18-12)9-5-7-10(16)8-6-9/h5-8H,3-4H2,1-2H3
InChIKeyMSUVWBSBIBXQHO-UHFFFAOYSA-N
XLogP4.29
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.21
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-(4-chlorophenyl)-1-methyl-3-propylpyrazolo[4,5-d]pyrimidine?
The IUPAC name of 7-chloro-5-(4-chlorophenyl)-1-methyl-3-propylpyrazolo[4,5-d]pyrimidine (CID 139219191) is 7-chloro-5-(4-chlorophenyl)-1-methyl-3-propylpyrazolo[4,5-d]pyrimidine.
What is the SMILES notation for 7-chloro-5-(4-chlorophenyl)-1-methyl-3-propylpyrazolo[4,5-d]pyrimidine?
The canonical SMILES for 7-chloro-5-(4-chlorophenyl)-1-methyl-3-propylpyrazolo[4,5-d]pyrimidine is CCCc1nn(C)c2c(Cl)nc(-c3ccc(Cl)cc3)nc12.
What is the InChIKey of 7-chloro-5-(4-chlorophenyl)-1-methyl-3-propylpyrazolo[4,5-d]pyrimidine?
The InChIKey is MSUVWBSBIBXQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N4/c1-3-4-11-12-13(21(2)20-11)14(17)19-15(18-12)9-5-7-10(16)8-6-9/h5-8H,3-4H2,1-2H3.
What are the key properties of 7-chloro-5-(4-chlorophenyl)-1-methyl-3-propylpyrazolo[4,5-d]pyrimidine?
7-chloro-5-(4-chlorophenyl)-1-methyl-3-propylpyrazolo[4,5-d]pyrimidine has a molecular weight of 321.21 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-(4-chlorophenyl)-1-methyl-3-propylpyrazolo[4,5-d]pyrimidine is sourced from PubChem (CID 139219191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).