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

C5H3ClN4 — CID 66570657

IUPAC7-chloro-1H-pyrazolo[4,5-d]pyrimidine
SMILESClc1ncnc2cn[nH]c12
InChIInChI=1S/C5H3ClN4/c6-5-4-3(1-9-10-4)7-2-8-5/h1-2H,(H,9,10)
InChIKeyHHENWMDMGFNJEO-UHFFFAOYSA-N
MW154.56 g/mol
LogP1.01
Rot. Bonds

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

7-chloro-1H-pyrazolo[4,5-d]pyrimidine (PubChem CID 66570657) has the molecular formula C5H3ClN4 and a molecular weight of 154.56 g/mol. Its IUPAC name is 7-chloro-1H-pyrazolo[4,5-d]pyrimidine.

Molecular Properties

Compound Name7-chloro-1H-pyrazolo[4,5-d]pyrimidine
PubChem CID66570657
Molecular FormulaC5H3ClN4
Molecular Weight154.56 g/mol
Exact Mass154.00
IUPAC Name7-chloro-1H-pyrazolo[4,5-d]pyrimidine
SMILESClc1ncnc2cn[nH]c12
InChIInChI=1S/C5H3ClN4/c6-5-4-3(1-9-10-4)7-2-8-5/h1-2H,(H,9,10)
InChIKeyHHENWMDMGFNJEO-UHFFFAOYSA-N
XLogP1.01
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.56
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1H-Imidazo[4,5-d]pyridazine
CID 5370875
1H-Pyrazolo(4,3-d)pyrimidin-7-amine
CID 96600
1H-Imidazo(4,5-d)pyridazin-2-amine
CID 6400641
4,7-Dichloro-1H-imidazo(4,5-d)pyridazine
CID 5302825
7-Chloro-1-methyl-1H-pyrazolo(4,3-d)pyrimidine
CID 44558545
1-methyl-1H-pyrazolo(4,3-d)pyrimidin-7-amine
CID 45080196
5,7-dichloro-1-methyl-1H-pyrazolo[4,3-d]pyrimidine
CID 57415862
5-Chloro-1H-pyrazolo(4,3-d)pyrimidine
CID 59796947
7-chloro-1,5-dimethyl-1H-pyrazolo(4,3-d)pyrimidine
CID 83669544
5-chloro-3-iodo-1H-pyrazolo(4,3-d)pyrimidine
CID 92133838
1H-pyrazolo(4,3-d)pyrimidine
CID 21083976
3-Amino-4,6-diaza-1H-indazole
CID 66680904

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1H-pyrazolo[4,5-d]pyrimidine?
The IUPAC name of 7-chloro-1H-pyrazolo[4,5-d]pyrimidine (CID 66570657) is 7-chloro-1H-pyrazolo[4,5-d]pyrimidine.
What is the SMILES notation for 7-chloro-1H-pyrazolo[4,5-d]pyrimidine?
The canonical SMILES for 7-chloro-1H-pyrazolo[4,5-d]pyrimidine is Clc1ncnc2cn[nH]c12.
What is the InChIKey of 7-chloro-1H-pyrazolo[4,5-d]pyrimidine?
The InChIKey is HHENWMDMGFNJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3ClN4/c6-5-4-3(1-9-10-4)7-2-8-5/h1-2H,(H,9,10).
What are the key properties of 7-chloro-1H-pyrazolo[4,5-d]pyrimidine?
7-chloro-1H-pyrazolo[4,5-d]pyrimidine has a molecular weight of 154.56 g/mol, XLogP of 1.01, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1H-pyrazolo[4,5-d]pyrimidine is sourced from PubChem (CID 66570657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).