5,7-dichloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidine

C9H9Cl2N3 — CID 21065644

IUPAC5,7-dichloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidine
SMILESCC(C)c1cnn2c(Cl)cc(Cl)nc12
InChIInChI=1S/C9H9Cl2N3/c1-5(2)6-4-12-14-8(11)3-7(10)13-9(6)14/h3-5H,1-2H3
InChIKeyVAAJGCDAYQIYPO-UHFFFAOYSA-N
MW230.10 g/mol
LogP3.16
Rot. Bonds1

About 5,7-dichloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidine

5,7-dichloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidine (PubChem CID 21065644) has the molecular formula C9H9Cl2N3 and a molecular weight of 230.10 g/mol. Its IUPAC name is 5,7-dichloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5,7-dichloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidine
PubChem CID21065644
Molecular FormulaC9H9Cl2N3
Molecular Weight230.10 g/mol
Exact Mass229.02
IUPAC Name5,7-dichloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidine
SMILESCC(C)c1cnn2c(Cl)cc(Cl)nc12
InChIInChI=1S/C9H9Cl2N3/c1-5(2)6-4-12-14-8(11)3-7(10)13-9(6)14/h3-5H,1-2H3
InChIKeyVAAJGCDAYQIYPO-UHFFFAOYSA-N
XLogP3.16
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.10
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5,7-dichloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidine (CID 21065644) is 5,7-dichloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5,7-dichloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5,7-dichloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidine is CC(C)c1cnn2c(Cl)cc(Cl)nc12.
What is the InChIKey of 5,7-dichloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidine?
The InChIKey is VAAJGCDAYQIYPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2N3/c1-5(2)6-4-12-14-8(11)3-7(10)13-9(6)14/h3-5H,1-2H3.
What are the key properties of 5,7-dichloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidine?
5,7-dichloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidine has a molecular weight of 230.10 g/mol, XLogP of 3.16, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 21065644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).