4-chloro-3-ethyl-2H-pyrazolo[3,4-d]pyrimidine

C7H7ClN4 — CID 76847048

IUPAC4-chloro-3-ethyl-2H-pyrazolo[3,4-d]pyrimidine
SMILESCCc1[nH]nc2ncnc(Cl)c12
InChIInChI=1S/C7H7ClN4/c1-2-4-5-6(8)9-3-10-7(5)12-11-4/h3H,2H2,1H3,(H,9,10,11,12)
InChIKeyWAIMQUPDNQRLKD-UHFFFAOYSA-N
MW182.61 g/mol
LogP1.57
Rot. Bonds1

About 4-chloro-3-ethyl-2H-pyrazolo[3,4-d]pyrimidine

4-chloro-3-ethyl-2H-pyrazolo[3,4-d]pyrimidine (PubChem CID 76847048) has the molecular formula C7H7ClN4 and a molecular weight of 182.61 g/mol. Its IUPAC name is 4-chloro-3-ethyl-2H-pyrazolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-3-ethyl-2H-pyrazolo[3,4-d]pyrimidine
PubChem CID76847048
Molecular FormulaC7H7ClN4
Molecular Weight182.61 g/mol
Exact Mass182.04
IUPAC Name4-chloro-3-ethyl-2H-pyrazolo[3,4-d]pyrimidine
SMILESCCc1[nH]nc2ncnc(Cl)c12
InChIInChI=1S/C7H7ClN4/c1-2-4-5-6(8)9-3-10-7(5)12-11-4/h3H,2H2,1H3,(H,9,10,11,12)
InChIKeyWAIMQUPDNQRLKD-UHFFFAOYSA-N
XLogP1.57
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.61
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-ethyl-2H-pyrazolo[3,4-d]pyrimidine?
The IUPAC name of 4-chloro-3-ethyl-2H-pyrazolo[3,4-d]pyrimidine (CID 76847048) is 4-chloro-3-ethyl-2H-pyrazolo[3,4-d]pyrimidine.
What is the SMILES notation for 4-chloro-3-ethyl-2H-pyrazolo[3,4-d]pyrimidine?
The canonical SMILES for 4-chloro-3-ethyl-2H-pyrazolo[3,4-d]pyrimidine is CCc1[nH]nc2ncnc(Cl)c12.
What is the InChIKey of 4-chloro-3-ethyl-2H-pyrazolo[3,4-d]pyrimidine?
The InChIKey is WAIMQUPDNQRLKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN4/c1-2-4-5-6(8)9-3-10-7(5)12-11-4/h3H,2H2,1H3,(H,9,10,11,12).
What are the key properties of 4-chloro-3-ethyl-2H-pyrazolo[3,4-d]pyrimidine?
4-chloro-3-ethyl-2H-pyrazolo[3,4-d]pyrimidine has a molecular weight of 182.61 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-ethyl-2H-pyrazolo[3,4-d]pyrimidine is sourced from PubChem (CID 76847048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).