3-bromo-7-(difluoromethyl)-5-(1,5-dimethylpyrazol-4-yl)-2-methylpyrazolo[1,5-a]pyrimidine

C13H12BrF2N5 — CID 4774264

IUPAC3-bromo-7-(difluoromethyl)-5-(1,5-dimethylpyrazol-4-yl)-2-methylpyrazolo[1,5-a]pyrimidine
SMILESCc1nn2c(C(F)F)cc(-c3cnn(C)c3C)nc2c1Br
InChIInChI=1S/C13H12BrF2N5/c1-6-11(14)13-18-9(8-5-17-20(3)7(8)2)4-10(12(15)16)21(13)19-6/h4-5,12H,1-3H3
InChIKeyWUYQARKNBQUVCU-UHFFFAOYSA-N
MW356.17 g/mol
LogP3.45
Rot. Bonds2

About 3-bromo-7-(difluoromethyl)-5-(1,5-dimethylpyrazol-4-yl)-2-methylpyrazolo[1,5-a]pyrimidine

3-bromo-7-(difluoromethyl)-5-(1,5-dimethylpyrazol-4-yl)-2-methylpyrazolo[1,5-a]pyrimidine (PubChem CID 4774264) has the molecular formula C13H12BrF2N5 and a molecular weight of 356.17 g/mol. Its IUPAC name is 3-bromo-7-(difluoromethyl)-5-(1,5-dimethylpyrazol-4-yl)-2-methylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-bromo-7-(difluoromethyl)-5-(1,5-dimethylpyrazol-4-yl)-2-methylpyrazolo[1,5-a]pyrimidine
PubChem CID4774264
Molecular FormulaC13H12BrF2N5
Molecular Weight356.17 g/mol
Exact Mass355.02
IUPAC Name3-bromo-7-(difluoromethyl)-5-(1,5-dimethylpyrazol-4-yl)-2-methylpyrazolo[1,5-a]pyrimidine
SMILESCc1nn2c(C(F)F)cc(-c3cnn(C)c3C)nc2c1Br
InChIInChI=1S/C13H12BrF2N5/c1-6-11(14)13-18-9(8-5-17-20(3)7(8)2)4-10(12(15)16)21(13)19-6/h4-5,12H,1-3H3
InChIKeyWUYQARKNBQUVCU-UHFFFAOYSA-N
XLogP3.45
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.17
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-7-(difluoromethyl)-5-(1-ethyl-3-methylpyrazol-4-yl)-2-methylpyrazolo[1,5-a]pyrimidine
CID 4774051
4-(difluoromethyl)-6-(1,5-dimethylpyrazol-4-yl)-1-(4-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridine
CID 29090661
5-(1,3-benzodioxol-5-yl)-3-chloro-7-(difluoromethyl)-2-methylpyrazolo[1,5-a]pyrimidine
CID 4774216
4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)-N-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine
CID 44821754
5-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 29091334
5-bromo-4-chloro-2-(1,5-dimethylpyrazol-4-yl)-6-propan-2-ylpyrimidine
CID 79584092
4-[3-(1,5-dimethylpyrazol-4-yl)-1H-pyrazol-5-yl]-1,5-dimethylpyrazole
CID 19588300
3-(5-bromo-1-methylpyrazol-4-yl)-1-methylpyrazol-5-amine
CID 127006262
4-[2-(difluoromethyl)phenyl]-1,5-dimethylpyrazole
CID 145090352
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19296631
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-7-(difluoromethyl)-N-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19458612
methyl 6-(1,5-dimethylpyrazol-4-yl)-3-methyl-1-propylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 19616472

Frequently Asked Questions

What is the IUPAC name of 3-bromo-7-(difluoromethyl)-5-(1,5-dimethylpyrazol-4-yl)-2-methylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-bromo-7-(difluoromethyl)-5-(1,5-dimethylpyrazol-4-yl)-2-methylpyrazolo[1,5-a]pyrimidine (CID 4774264) is 3-bromo-7-(difluoromethyl)-5-(1,5-dimethylpyrazol-4-yl)-2-methylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-bromo-7-(difluoromethyl)-5-(1,5-dimethylpyrazol-4-yl)-2-methylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-bromo-7-(difluoromethyl)-5-(1,5-dimethylpyrazol-4-yl)-2-methylpyrazolo[1,5-a]pyrimidine is Cc1nn2c(C(F)F)cc(-c3cnn(C)c3C)nc2c1Br.
What is the InChIKey of 3-bromo-7-(difluoromethyl)-5-(1,5-dimethylpyrazol-4-yl)-2-methylpyrazolo[1,5-a]pyrimidine?
The InChIKey is WUYQARKNBQUVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrF2N5/c1-6-11(14)13-18-9(8-5-17-20(3)7(8)2)4-10(12(15)16)21(13)19-6/h4-5,12H,1-3H3.
What are the key properties of 3-bromo-7-(difluoromethyl)-5-(1,5-dimethylpyrazol-4-yl)-2-methylpyrazolo[1,5-a]pyrimidine?
3-bromo-7-(difluoromethyl)-5-(1,5-dimethylpyrazol-4-yl)-2-methylpyrazolo[1,5-a]pyrimidine has a molecular weight of 356.17 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-7-(difluoromethyl)-5-(1,5-dimethylpyrazol-4-yl)-2-methylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 4774264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).