3-bromo-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine

C9H10BrN3 — CID 2323996

IUPAC3-bromo-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(C)n2nc(C)c(Br)c2n1
InChIInChI=1S/C9H10BrN3/c1-5-4-6(2)13-9(11-5)8(10)7(3)12-13/h4H,1-3H3
InChIKeyNASYPSXAHKIZFK-UHFFFAOYSA-N
MW240.10 g/mol
LogP2.42
Rot. Bonds

About 3-bromo-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine

3-bromo-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine (PubChem CID 2323996) has the molecular formula C9H10BrN3 and a molecular weight of 240.10 g/mol. Its IUPAC name is 3-bromo-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-bromo-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine
PubChem CID2323996
Molecular FormulaC9H10BrN3
Molecular Weight240.10 g/mol
Exact Mass239.01
IUPAC Name3-bromo-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(C)n2nc(C)c(Br)c2n1
InChIInChI=1S/C9H10BrN3/c1-5-4-6(2)13-9(11-5)8(10)7(3)12-13/h4H,1-3H3
InChIKeyNASYPSXAHKIZFK-UHFFFAOYSA-N
XLogP2.42
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.10
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Pyrazolo(1,5-a)pyrimidine, 5,7-dimethyl-
CID 215186
3-Bromo-5,7-dimethylpyrazolo(1,5-a)pyrimidine
CID 198235
Pyrazolo(1.5-a)pyrimidine, 5,7-dimethyl-3-iodo-
CID 206164
5,7-Dimethylpyrazolo[1,5-a]pyrimidin-2-amine
CID 28063903
5,7-Dimethyl-(1,2,4)triazolo(1,5-a)pyrimidin-2-amine
CID 267310
2-(3,5-Dimethyl-pyrazol-1-YL)-4,6-dimethyl-pyrimidine
CID 3401968
2,5,7-Trimethylpyrazolo[1,5-a]pyrimidine
CID 3611062
2-Chloro-5,7-dimethylpyrazolo [1,5-a]pyrimidine
CID 19380134
2-Bromo-5,7-dimethylpyrazolo(1,5-a)pyrimidine
CID 76852212
4-(3,5-dimethyl-1H-pyrazol-1-yl)-6-methylpyrimidin-2-amine
CID 742814
3,5,7-Trimethylpyrazolo[1,5-a]pyrimidine
CID 18684975
5,7-Dimethyl 3-fluoro pyrazolo[1,5-a]pyrimidine
CID 20324958

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-bromo-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine (CID 2323996) is 3-bromo-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-bromo-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-bromo-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine is Cc1cc(C)n2nc(C)c(Br)c2n1.
What is the InChIKey of 3-bromo-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine?
The InChIKey is NASYPSXAHKIZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN3/c1-5-4-6(2)13-9(11-5)8(10)7(3)12-13/h4H,1-3H3.
What are the key properties of 3-bromo-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine?
3-bromo-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine has a molecular weight of 240.10 g/mol, XLogP of 2.42, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 2323996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).