7-chloro-5-(2,2-dimethylpropyl)-3-methylpyrazolo[1,5-a]pyrimidine

C12H16ClN3 — CID 89365677

IUPAC7-chloro-5-(2,2-dimethylpropyl)-3-methylpyrazolo[1,5-a]pyrimidine
SMILESCc1cnn2c(Cl)cc(CC(C)(C)C)nc12
InChIInChI=1S/C12H16ClN3/c1-8-7-14-16-10(13)5-9(15-11(8)16)6-12(2,3)4/h5,7H,6H2,1-4H3
InChIKeyZYOQGKOAUORZTJ-UHFFFAOYSA-N
MW237.73 g/mol
LogP3.28
Rot. Bonds1

About 7-chloro-5-(2,2-dimethylpropyl)-3-methylpyrazolo[1,5-a]pyrimidine

7-chloro-5-(2,2-dimethylpropyl)-3-methylpyrazolo[1,5-a]pyrimidine (PubChem CID 89365677) has the molecular formula C12H16ClN3 and a molecular weight of 237.73 g/mol. Its IUPAC name is 7-chloro-5-(2,2-dimethylpropyl)-3-methylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-chloro-5-(2,2-dimethylpropyl)-3-methylpyrazolo[1,5-a]pyrimidine
PubChem CID89365677
Molecular FormulaC12H16ClN3
Molecular Weight237.73 g/mol
Exact Mass237.10
IUPAC Name7-chloro-5-(2,2-dimethylpropyl)-3-methylpyrazolo[1,5-a]pyrimidine
SMILESCc1cnn2c(Cl)cc(CC(C)(C)C)nc12
InChIInChI=1S/C12H16ClN3/c1-8-7-14-16-10(13)5-9(15-11(8)16)6-12(2,3)4/h5,7H,6H2,1-4H3
InChIKeyZYOQGKOAUORZTJ-UHFFFAOYSA-N
XLogP3.28
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-(2,2-dimethylpropyl)-3-methylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-chloro-5-(2,2-dimethylpropyl)-3-methylpyrazolo[1,5-a]pyrimidine (CID 89365677) is 7-chloro-5-(2,2-dimethylpropyl)-3-methylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-chloro-5-(2,2-dimethylpropyl)-3-methylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-chloro-5-(2,2-dimethylpropyl)-3-methylpyrazolo[1,5-a]pyrimidine is Cc1cnn2c(Cl)cc(CC(C)(C)C)nc12.
What is the InChIKey of 7-chloro-5-(2,2-dimethylpropyl)-3-methylpyrazolo[1,5-a]pyrimidine?
The InChIKey is ZYOQGKOAUORZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3/c1-8-7-14-16-10(13)5-9(15-11(8)16)6-12(2,3)4/h5,7H,6H2,1-4H3.
What are the key properties of 7-chloro-5-(2,2-dimethylpropyl)-3-methylpyrazolo[1,5-a]pyrimidine?
7-chloro-5-(2,2-dimethylpropyl)-3-methylpyrazolo[1,5-a]pyrimidine has a molecular weight of 237.73 g/mol, XLogP of 3.28, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-(2,2-dimethylpropyl)-3-methylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 89365677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).