methyl 3-bromo-5-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylate

C14H10BrN3O2 — CID 19916288

IUPACmethyl 3-bromo-5-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylate
SMILESCOC(=O)c1cc(-c2ccccc2)nc2c(Br)cnn12
InChIInChI=1S/C14H10BrN3O2/c1-20-14(19)12-7-11(9-5-3-2-4-6-9)17-13-10(15)8-16-18(12)13/h2-8H,1H3
InChIKeyOVGGJSVVYAUGAT-UHFFFAOYSA-N
MW332.16 g/mol
LogP2.95
Rot. Bonds2

About methyl 3-bromo-5-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylate

methyl 3-bromo-5-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylate (PubChem CID 19916288) has the molecular formula C14H10BrN3O2 and a molecular weight of 332.16 g/mol. Its IUPAC name is methyl 3-bromo-5-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylate.

Molecular Properties

Compound Namemethyl 3-bromo-5-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylate
PubChem CID19916288
Molecular FormulaC14H10BrN3O2
Molecular Weight332.16 g/mol
Exact Mass331.00
IUPAC Namemethyl 3-bromo-5-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylate
SMILESCOC(=O)c1cc(-c2ccccc2)nc2c(Br)cnn12
InChIInChI=1S/C14H10BrN3O2/c1-20-14(19)12-7-11(9-5-3-2-4-6-9)17-13-10(15)8-16-18(12)13/h2-8H,1H3
InChIKeyOVGGJSVVYAUGAT-UHFFFAOYSA-N
XLogP2.95
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.16
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxylate
CID 19916146
methyl 5-(4-fluorophenyl)-3-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylate
CID 19916264
3-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 113433503
methyl 3-bromo-5-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-7-carboxylate
CID 19916139
methyl 3-chloro-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-7-carboxylate
CID 44822346
methyl 5-(3-nitrophenyl)-3-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylate
CID 29091282
methyl 5-(1,3-dimethylpyrazol-4-yl)-3-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylate
CID 19916100
methyl 3-chloro-5-(3-nitrophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxylate
CID 29091398
methyl 5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 673655
3-bromo-N-(4-methylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 118131950
ethyl 7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 656076
4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N'-methylbenzenesulfonohydrazide
CID 71192931

Frequently Asked Questions

What is the IUPAC name of methyl 3-bromo-5-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylate?
The IUPAC name of methyl 3-bromo-5-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylate (CID 19916288) is methyl 3-bromo-5-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylate.
What is the SMILES notation for methyl 3-bromo-5-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylate?
The canonical SMILES for methyl 3-bromo-5-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylate is COC(=O)c1cc(-c2ccccc2)nc2c(Br)cnn12.
What is the InChIKey of methyl 3-bromo-5-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylate?
The InChIKey is OVGGJSVVYAUGAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3O2/c1-20-14(19)12-7-11(9-5-3-2-4-6-9)17-13-10(15)8-16-18(12)13/h2-8H,1H3.
What are the key properties of methyl 3-bromo-5-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylate?
methyl 3-bromo-5-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylate has a molecular weight of 332.16 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-bromo-5-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylate is sourced from PubChem (CID 19916288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).