ethyl 2-(4-bromophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate

C16H14BrN3O2 — CID 1101194

IUPACethyl 2-(4-bromophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cnc2cc(-c3ccc(Br)cc3)nn2c1C
InChIInChI=1S/C16H14BrN3O2/c1-3-22-16(21)13-9-18-15-8-14(19-20(15)10(13)2)11-4-6-12(17)7-5-11/h4-9H,3H2,1-2H3
InChIKeyFBDHAPASLZMHDC-UHFFFAOYSA-N
MW360.21 g/mol
LogP3.64
Rot. Bonds3

About ethyl 2-(4-bromophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate

ethyl 2-(4-bromophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate (PubChem CID 1101194) has the molecular formula C16H14BrN3O2 and a molecular weight of 360.21 g/mol. Its IUPAC name is ethyl 2-(4-bromophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-bromophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
PubChem CID1101194
Molecular FormulaC16H14BrN3O2
Molecular Weight360.21 g/mol
Exact Mass359.03
IUPAC Nameethyl 2-(4-bromophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cnc2cc(-c3ccc(Br)cc3)nn2c1C
InChIInChI=1S/C16H14BrN3O2/c1-3-22-16(21)13-9-18-15-8-14(19-20(15)10(13)2)11-4-6-12(17)7-5-11/h4-9H,3H2,1-2H3
InChIKeyFBDHAPASLZMHDC-UHFFFAOYSA-N
XLogP3.64
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.21
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 7-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 679547
Ethyl 7-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 754764
Ethyl 5-(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 1111210
1-[3-(3-Bromophenyl)-7-methylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone
CID 808368
Ethyl 3-(3-bromophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 1003221
Ethyl 2-(4-methylphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 9551527
Methyl 5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 673655
Ethyl 5-(4-fluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 822828
7-(4-Bromo-phenyl)-4-methyl-pyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid ethyl ester
CID 653172
Ethyl 2-methyl-7-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 754757
Ethyl 3-(4-chlorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 754762
Ethyl 7-amino-2-(4-tert-butylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 977742

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-bromophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 2-(4-bromophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate (CID 1101194) is ethyl 2-(4-bromophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 2-(4-bromophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 2-(4-bromophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate is CCOC(=O)c1cnc2cc(-c3ccc(Br)cc3)nn2c1C.
What is the InChIKey of ethyl 2-(4-bromophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
The InChIKey is FBDHAPASLZMHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3O2/c1-3-22-16(21)13-9-18-15-8-14(19-20(15)10(13)2)11-4-6-12(17)7-5-11/h4-9H,3H2,1-2H3.
What are the key properties of ethyl 2-(4-bromophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
ethyl 2-(4-bromophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate has a molecular weight of 360.21 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-bromophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 1101194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).