5,7-dichloro-2-(5-methylpiperidin-2-yl)pyrazolo[1,5-a]pyrimidine

C12H14Cl2N4 — CID 76667903

IUPAC5,7-dichloro-2-(5-methylpiperidin-2-yl)pyrazolo[1,5-a]pyrimidine
SMILESCC1CCC(c2cc3nc(Cl)cc(Cl)n3n2)NC1
InChIInChI=1S/C12H14Cl2N4/c1-7-2-3-8(15-6-7)9-4-12-16-10(13)5-11(14)18(12)17-9/h4-5,7-8,15H,2-3,6H2,1H3
InChIKeyDGIMTCGAWNGEHP-UHFFFAOYSA-N
MW285.18 g/mol
LogP3.10
Rot. Bonds1

About 5,7-dichloro-2-(5-methylpiperidin-2-yl)pyrazolo[1,5-a]pyrimidine

5,7-dichloro-2-(5-methylpiperidin-2-yl)pyrazolo[1,5-a]pyrimidine (PubChem CID 76667903) has the molecular formula C12H14Cl2N4 and a molecular weight of 285.18 g/mol. Its IUPAC name is 5,7-dichloro-2-(5-methylpiperidin-2-yl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5,7-dichloro-2-(5-methylpiperidin-2-yl)pyrazolo[1,5-a]pyrimidine
PubChem CID76667903
Molecular FormulaC12H14Cl2N4
Molecular Weight285.18 g/mol
Exact Mass284.06
IUPAC Name5,7-dichloro-2-(5-methylpiperidin-2-yl)pyrazolo[1,5-a]pyrimidine
SMILESCC1CCC(c2cc3nc(Cl)cc(Cl)n3n2)NC1
InChIInChI=1S/C12H14Cl2N4/c1-7-2-3-8(15-6-7)9-4-12-16-10(13)5-11(14)18(12)17-9/h4-5,7-8,15H,2-3,6H2,1H3
InChIKeyDGIMTCGAWNGEHP-UHFFFAOYSA-N
XLogP3.10
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.18
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-2-(5-methylpiperidin-2-yl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5,7-dichloro-2-(5-methylpiperidin-2-yl)pyrazolo[1,5-a]pyrimidine (CID 76667903) is 5,7-dichloro-2-(5-methylpiperidin-2-yl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5,7-dichloro-2-(5-methylpiperidin-2-yl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5,7-dichloro-2-(5-methylpiperidin-2-yl)pyrazolo[1,5-a]pyrimidine is CC1CCC(c2cc3nc(Cl)cc(Cl)n3n2)NC1.
What is the InChIKey of 5,7-dichloro-2-(5-methylpiperidin-2-yl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is DGIMTCGAWNGEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N4/c1-7-2-3-8(15-6-7)9-4-12-16-10(13)5-11(14)18(12)17-9/h4-5,7-8,15H,2-3,6H2,1H3.
What are the key properties of 5,7-dichloro-2-(5-methylpiperidin-2-yl)pyrazolo[1,5-a]pyrimidine?
5,7-dichloro-2-(5-methylpiperidin-2-yl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 285.18 g/mol, XLogP of 3.10, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-2-(5-methylpiperidin-2-yl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 76667903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).