5-chloro-1-methylpyrazolo[4,3-d]pyrimidine

C6H5ClN4 — CID 71743115

IUPAC5-chloro-1-methylpyrazolo[4,3-d]pyrimidine
SMILESCn1ncc2nc(Cl)ncc21
InChIInChI=1S/C6H5ClN4/c1-11-5-3-8-6(7)10-4(5)2-9-11/h2-3H,1H3
InChIKeyOLJXIBBCNSIBFY-UHFFFAOYSA-N
MW168.59 g/mol
LogP1.02
Rot. Bonds

About 5-chloro-1-methylpyrazolo[4,3-d]pyrimidine

5-chloro-1-methylpyrazolo[4,3-d]pyrimidine (PubChem CID 71743115) has the molecular formula C6H5ClN4 and a molecular weight of 168.59 g/mol. Its IUPAC name is 5-chloro-1-methylpyrazolo[4,3-d]pyrimidine.

Molecular Properties

Compound Name5-chloro-1-methylpyrazolo[4,3-d]pyrimidine
PubChem CID71743115
Molecular FormulaC6H5ClN4
Molecular Weight168.59 g/mol
Exact Mass168.02
IUPAC Name5-chloro-1-methylpyrazolo[4,3-d]pyrimidine
SMILESCn1ncc2nc(Cl)ncc21
InChIInChI=1S/C6H5ClN4/c1-11-5-3-8-6(7)10-4(5)2-9-11/h2-3H,1H3
InChIKeyOLJXIBBCNSIBFY-UHFFFAOYSA-N
XLogP1.02
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.59
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1H-Imidazo[4,5-d]pyridazine
CID 5370875
1H-imidazo[4,5-d]pyridazin-4-amine
CID 5469585
1H-Pyrazolo(4,3-d)pyrimidin-7-amine
CID 96600
1H-Imidazo(4,5-d)pyridazin-2-amine
CID 6400641
4-chloro-7-ethyl-7H-imidazo(4,5-c)pyridazine
CID 55296765
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-1H-pyrazolo(4,3-d)pyrimidine
CID 66570657
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

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-methylpyrazolo[4,3-d]pyrimidine?
The IUPAC name of 5-chloro-1-methylpyrazolo[4,3-d]pyrimidine (CID 71743115) is 5-chloro-1-methylpyrazolo[4,3-d]pyrimidine.
What is the SMILES notation for 5-chloro-1-methylpyrazolo[4,3-d]pyrimidine?
The canonical SMILES for 5-chloro-1-methylpyrazolo[4,3-d]pyrimidine is Cn1ncc2nc(Cl)ncc21.
What is the InChIKey of 5-chloro-1-methylpyrazolo[4,3-d]pyrimidine?
The InChIKey is OLJXIBBCNSIBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClN4/c1-11-5-3-8-6(7)10-4(5)2-9-11/h2-3H,1H3.
What are the key properties of 5-chloro-1-methylpyrazolo[4,3-d]pyrimidine?
5-chloro-1-methylpyrazolo[4,3-d]pyrimidine has a molecular weight of 168.59 g/mol, XLogP of 1.02, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-methylpyrazolo[4,3-d]pyrimidine is sourced from PubChem (CID 71743115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).