7-chloro-5-methyl-1H-pyrazolo[4,5-d]pyrimidine

C6H5ClN4 — CID 23559516

IUPAC7-chloro-5-methyl-1H-pyrazolo[4,5-d]pyrimidine
SMILESCc1nc(Cl)c2[nH]ncc2n1
InChIInChI=1S/C6H5ClN4/c1-3-9-4-2-8-11-5(4)6(7)10-3/h2H,1H3,(H,8,11)
InChIKeyOZSZTAKPQQPQMF-UHFFFAOYSA-N
MW168.59 g/mol
LogP1.31
Rot. Bonds

About 7-chloro-5-methyl-1H-pyrazolo[4,5-d]pyrimidine

7-chloro-5-methyl-1H-pyrazolo[4,5-d]pyrimidine (PubChem CID 23559516) has the molecular formula C6H5ClN4 and a molecular weight of 168.59 g/mol. Its IUPAC name is 7-chloro-5-methyl-1H-pyrazolo[4,5-d]pyrimidine.

Molecular Properties

Compound Name7-chloro-5-methyl-1H-pyrazolo[4,5-d]pyrimidine
PubChem CID23559516
Molecular FormulaC6H5ClN4
Molecular Weight168.59 g/mol
Exact Mass168.02
IUPAC Name7-chloro-5-methyl-1H-pyrazolo[4,5-d]pyrimidine
SMILESCc1nc(Cl)c2[nH]ncc2n1
InChIInChI=1S/C6H5ClN4/c1-3-9-4-2-8-11-5(4)6(7)10-3/h2H,1H3,(H,8,11)
InChIKeyOZSZTAKPQQPQMF-UHFFFAOYSA-N
XLogP1.31
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.59
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-methyl-1H-pyrazolo[4,5-d]pyrimidine?
The IUPAC name of 7-chloro-5-methyl-1H-pyrazolo[4,5-d]pyrimidine (CID 23559516) is 7-chloro-5-methyl-1H-pyrazolo[4,5-d]pyrimidine.
What is the SMILES notation for 7-chloro-5-methyl-1H-pyrazolo[4,5-d]pyrimidine?
The canonical SMILES for 7-chloro-5-methyl-1H-pyrazolo[4,5-d]pyrimidine is Cc1nc(Cl)c2[nH]ncc2n1.
What is the InChIKey of 7-chloro-5-methyl-1H-pyrazolo[4,5-d]pyrimidine?
The InChIKey is OZSZTAKPQQPQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClN4/c1-3-9-4-2-8-11-5(4)6(7)10-3/h2H,1H3,(H,8,11).
What are the key properties of 7-chloro-5-methyl-1H-pyrazolo[4,5-d]pyrimidine?
7-chloro-5-methyl-1H-pyrazolo[4,5-d]pyrimidine has a molecular weight of 168.59 g/mol, XLogP of 1.31, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-methyl-1H-pyrazolo[4,5-d]pyrimidine is sourced from PubChem (CID 23559516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).