3-bromo-7-(difluoromethyl)-2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

C10H14BrF2N3 — CID 136838525

IUPAC3-bromo-7-(difluoromethyl)-2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCCCc1nn2c(c1Br)NCCC2C(F)F
InChIInChI=1S/C10H14BrF2N3/c1-2-3-6-8(11)10-14-5-4-7(9(12)13)16(10)15-6/h7,9,14H,2-5H2,1H3
InChIKeyYSZAGVKBUQUNFD-UHFFFAOYSA-N
MW294.14 g/mol
LogP3.22
Rot. Bonds3

About 3-bromo-7-(difluoromethyl)-2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

3-bromo-7-(difluoromethyl)-2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (PubChem CID 136838525) has the molecular formula C10H14BrF2N3 and a molecular weight of 294.14 g/mol. Its IUPAC name is 3-bromo-7-(difluoromethyl)-2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-bromo-7-(difluoromethyl)-2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
PubChem CID136838525
Molecular FormulaC10H14BrF2N3
Molecular Weight294.14 g/mol
Exact Mass293.03
IUPAC Name3-bromo-7-(difluoromethyl)-2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCCCc1nn2c(c1Br)NCCC2C(F)F
InChIInChI=1S/C10H14BrF2N3/c1-2-3-6-8(11)10-14-5-4-7(9(12)13)16(10)15-6/h7,9,14H,2-5H2,1H3
InChIKeyYSZAGVKBUQUNFD-UHFFFAOYSA-N
XLogP3.22
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.14
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-7-(difluoromethyl)-2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-bromo-7-(difluoromethyl)-2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (CID 136838525) is 3-bromo-7-(difluoromethyl)-2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-bromo-7-(difluoromethyl)-2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-bromo-7-(difluoromethyl)-2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is CCCc1nn2c(c1Br)NCCC2C(F)F.
What is the InChIKey of 3-bromo-7-(difluoromethyl)-2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The InChIKey is YSZAGVKBUQUNFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrF2N3/c1-2-3-6-8(11)10-14-5-4-7(9(12)13)16(10)15-6/h7,9,14H,2-5H2,1H3.
What are the key properties of 3-bromo-7-(difluoromethyl)-2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
3-bromo-7-(difluoromethyl)-2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine has a molecular weight of 294.14 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-7-(difluoromethyl)-2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136838525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).