3-bromo-6-[4-(1-methylcyclopropyl)phenyl]pyrazolo[1,5-a]pyrimidine

C16H14BrN3 — CID 130214283

IUPAC3-bromo-6-[4-(1-methylcyclopropyl)phenyl]pyrazolo[1,5-a]pyrimidine
SMILESCC1(c2ccc(-c3cnc4c(Br)cnn4c3)cc2)CC1
InChIInChI=1S/C16H14BrN3/c1-16(6-7-16)13-4-2-11(3-5-13)12-8-18-15-14(17)9-19-20(15)10-12/h2-5,8-10H,6-7H2,1H3
InChIKeyCRKZGZCKPHVICX-UHFFFAOYSA-N
MW328.21 g/mol
LogP4.21
Rot. Bonds2

About 3-bromo-6-[4-(1-methylcyclopropyl)phenyl]pyrazolo[1,5-a]pyrimidine

3-bromo-6-[4-(1-methylcyclopropyl)phenyl]pyrazolo[1,5-a]pyrimidine (PubChem CID 130214283) has the molecular formula C16H14BrN3 and a molecular weight of 328.21 g/mol. Its IUPAC name is 3-bromo-6-[4-(1-methylcyclopropyl)phenyl]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-bromo-6-[4-(1-methylcyclopropyl)phenyl]pyrazolo[1,5-a]pyrimidine
PubChem CID130214283
Molecular FormulaC16H14BrN3
Molecular Weight328.21 g/mol
Exact Mass327.04
IUPAC Name3-bromo-6-[4-(1-methylcyclopropyl)phenyl]pyrazolo[1,5-a]pyrimidine
SMILESCC1(c2ccc(-c3cnc4c(Br)cnn4c3)cc2)CC1
InChIInChI=1S/C16H14BrN3/c1-16(6-7-16)13-4-2-11(3-5-13)12-8-18-15-14(17)9-19-20(15)10-12/h2-5,8-10H,6-7H2,1H3
InChIKeyCRKZGZCKPHVICX-UHFFFAOYSA-N
XLogP4.21
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-[4-(1-methylcyclopropyl)phenyl]pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-bromo-6-[4-(1-methylcyclopropyl)phenyl]pyrazolo[1,5-a]pyrimidine (CID 130214283) is 3-bromo-6-[4-(1-methylcyclopropyl)phenyl]pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-bromo-6-[4-(1-methylcyclopropyl)phenyl]pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-bromo-6-[4-(1-methylcyclopropyl)phenyl]pyrazolo[1,5-a]pyrimidine is CC1(c2ccc(-c3cnc4c(Br)cnn4c3)cc2)CC1.
What is the InChIKey of 3-bromo-6-[4-(1-methylcyclopropyl)phenyl]pyrazolo[1,5-a]pyrimidine?
The InChIKey is CRKZGZCKPHVICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3/c1-16(6-7-16)13-4-2-11(3-5-13)12-8-18-15-14(17)9-19-20(15)10-12/h2-5,8-10H,6-7H2,1H3.
What are the key properties of 3-bromo-6-[4-(1-methylcyclopropyl)phenyl]pyrazolo[1,5-a]pyrimidine?
3-bromo-6-[4-(1-methylcyclopropyl)phenyl]pyrazolo[1,5-a]pyrimidine has a molecular weight of 328.21 g/mol, XLogP of 4.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-[4-(1-methylcyclopropyl)phenyl]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 130214283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).