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

C7H7ClN4 — CID 87498025

IUPAC7-chloro-3-ethyl-2H-pyrazolo[4,3-d]pyrimidine
SMILESCCc1[nH]nc2c(Cl)ncnc12
InChIInChI=1S/C7H7ClN4/c1-2-4-5-6(12-11-4)7(8)10-3-9-5/h3H,2H2,1H3,(H,11,12)
InChIKeyXBTMQOJSBJVKMP-UHFFFAOYSA-N
MW182.61 g/mol
LogP1.57
Rot. Bonds1

About 7-chloro-3-ethyl-2H-pyrazolo[4,3-d]pyrimidine

7-chloro-3-ethyl-2H-pyrazolo[4,3-d]pyrimidine (PubChem CID 87498025) has the molecular formula C7H7ClN4 and a molecular weight of 182.61 g/mol. Its IUPAC name is 7-chloro-3-ethyl-2H-pyrazolo[4,3-d]pyrimidine.

Molecular Properties

Compound Name7-chloro-3-ethyl-2H-pyrazolo[4,3-d]pyrimidine
PubChem CID87498025
Molecular FormulaC7H7ClN4
Molecular Weight182.61 g/mol
Exact Mass182.04
IUPAC Name7-chloro-3-ethyl-2H-pyrazolo[4,3-d]pyrimidine
SMILESCCc1[nH]nc2c(Cl)ncnc12
InChIInChI=1S/C7H7ClN4/c1-2-4-5-6(12-11-4)7(8)10-3-9-5/h3H,2H2,1H3,(H,11,12)
InChIKeyXBTMQOJSBJVKMP-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 7-chloro-3-ethyl-2H-pyrazolo[4,3-d]pyrimidine?
The IUPAC name of 7-chloro-3-ethyl-2H-pyrazolo[4,3-d]pyrimidine (CID 87498025) is 7-chloro-3-ethyl-2H-pyrazolo[4,3-d]pyrimidine.
What is the SMILES notation for 7-chloro-3-ethyl-2H-pyrazolo[4,3-d]pyrimidine?
The canonical SMILES for 7-chloro-3-ethyl-2H-pyrazolo[4,3-d]pyrimidine is CCc1[nH]nc2c(Cl)ncnc12.
What is the InChIKey of 7-chloro-3-ethyl-2H-pyrazolo[4,3-d]pyrimidine?
The InChIKey is XBTMQOJSBJVKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN4/c1-2-4-5-6(12-11-4)7(8)10-3-9-5/h3H,2H2,1H3,(H,11,12).
What are the key properties of 7-chloro-3-ethyl-2H-pyrazolo[4,3-d]pyrimidine?
7-chloro-3-ethyl-2H-pyrazolo[4,3-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 7-chloro-3-ethyl-2H-pyrazolo[4,3-d]pyrimidine is sourced from PubChem (CID 87498025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).