4-chloro-1-(2-ethylphenyl)-6-methylpyrazolo[5,4-d]pyrimidine

C14H13ClN4 — CID 170093134

IUPAC4-chloro-1-(2-ethylphenyl)-6-methylpyrazolo[5,4-d]pyrimidine
SMILESCCc1ccccc1-n1ncc2c(Cl)nc(C)nc21
InChIInChI=1S/C14H13ClN4/c1-3-10-6-4-5-7-12(10)19-14-11(8-16-19)13(15)17-9(2)18-14/h4-8H,3H2,1-2H3
InChIKeyGZQXKVPCTCQNGU-UHFFFAOYSA-N
MW272.74 g/mol
LogP3.34
Rot. Bonds2

About 4-chloro-1-(2-ethylphenyl)-6-methylpyrazolo[5,4-d]pyrimidine

4-chloro-1-(2-ethylphenyl)-6-methylpyrazolo[5,4-d]pyrimidine (PubChem CID 170093134) has the molecular formula C14H13ClN4 and a molecular weight of 272.74 g/mol. Its IUPAC name is 4-chloro-1-(2-ethylphenyl)-6-methylpyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-1-(2-ethylphenyl)-6-methylpyrazolo[5,4-d]pyrimidine
PubChem CID170093134
Molecular FormulaC14H13ClN4
Molecular Weight272.74 g/mol
Exact Mass272.08
IUPAC Name4-chloro-1-(2-ethylphenyl)-6-methylpyrazolo[5,4-d]pyrimidine
SMILESCCc1ccccc1-n1ncc2c(Cl)nc(C)nc21
InChIInChI=1S/C14H13ClN4/c1-3-10-6-4-5-7-12(10)19-14-11(8-16-19)13(15)17-9(2)18-14/h4-8H,3H2,1-2H3
InChIKeyGZQXKVPCTCQNGU-UHFFFAOYSA-N
XLogP3.34
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(2-ethylphenyl)-6-methylpyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-chloro-1-(2-ethylphenyl)-6-methylpyrazolo[5,4-d]pyrimidine (CID 170093134) is 4-chloro-1-(2-ethylphenyl)-6-methylpyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-chloro-1-(2-ethylphenyl)-6-methylpyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-chloro-1-(2-ethylphenyl)-6-methylpyrazolo[5,4-d]pyrimidine is CCc1ccccc1-n1ncc2c(Cl)nc(C)nc21.
What is the InChIKey of 4-chloro-1-(2-ethylphenyl)-6-methylpyrazolo[5,4-d]pyrimidine?
The InChIKey is GZQXKVPCTCQNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4/c1-3-10-6-4-5-7-12(10)19-14-11(8-16-19)13(15)17-9(2)18-14/h4-8H,3H2,1-2H3.
What are the key properties of 4-chloro-1-(2-ethylphenyl)-6-methylpyrazolo[5,4-d]pyrimidine?
4-chloro-1-(2-ethylphenyl)-6-methylpyrazolo[5,4-d]pyrimidine has a molecular weight of 272.74 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(2-ethylphenyl)-6-methylpyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 170093134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).