3-bromo-5-[2-(2-methylpropyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine

C15H21BrN4 — CID 167886338

IUPAC3-bromo-5-[2-(2-methylpropyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine
SMILESCC(C)CC1CCCCN1c1ccn2ncc(Br)c2n1
InChIInChI=1S/C15H21BrN4/c1-11(2)9-12-5-3-4-7-19(12)14-6-8-20-15(18-14)13(16)10-17-20/h6,8,10-12H,3-5,7,9H2,1-2H3
InChIKeyPOLKWCYMQOCOSB-UHFFFAOYSA-N
MW337.27 g/mol
LogP3.90
Rot. Bonds3

About 3-bromo-5-[2-(2-methylpropyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine

3-bromo-5-[2-(2-methylpropyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine (PubChem CID 167886338) has the molecular formula C15H21BrN4 and a molecular weight of 337.27 g/mol. Its IUPAC name is 3-bromo-5-[2-(2-methylpropyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-bromo-5-[2-(2-methylpropyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine
PubChem CID167886338
Molecular FormulaC15H21BrN4
Molecular Weight337.27 g/mol
Exact Mass336.09
IUPAC Name3-bromo-5-[2-(2-methylpropyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine
SMILESCC(C)CC1CCCCN1c1ccn2ncc(Br)c2n1
InChIInChI=1S/C15H21BrN4/c1-11(2)9-12-5-3-4-7-19(12)14-6-8-20-15(18-14)13(16)10-17-20/h6,8,10-12H,3-5,7,9H2,1-2H3
InChIKeyPOLKWCYMQOCOSB-UHFFFAOYSA-N
XLogP3.90
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.27
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[2-(2-methylpropyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-bromo-5-[2-(2-methylpropyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine (CID 167886338) is 3-bromo-5-[2-(2-methylpropyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-bromo-5-[2-(2-methylpropyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-bromo-5-[2-(2-methylpropyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine is CC(C)CC1CCCCN1c1ccn2ncc(Br)c2n1.
What is the InChIKey of 3-bromo-5-[2-(2-methylpropyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine?
The InChIKey is POLKWCYMQOCOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN4/c1-11(2)9-12-5-3-4-7-19(12)14-6-8-20-15(18-14)13(16)10-17-20/h6,8,10-12H,3-5,7,9H2,1-2H3.
What are the key properties of 3-bromo-5-[2-(2-methylpropyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine?
3-bromo-5-[2-(2-methylpropyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine has a molecular weight of 337.27 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-[2-(2-methylpropyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 167886338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).