[1-(2-bromophenyl)cyclopropyl] 2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate

C17H14BrN3O2 — CID 71913304

IUPAC[1-(2-bromophenyl)cyclopropyl] 2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCc1nn2cccnc2c1C(=O)OC1(c2ccccc2Br)CC1
InChIInChI=1S/C17H14BrN3O2/c1-11-14(15-19-9-4-10-21(15)20-11)16(22)23-17(7-8-17)12-5-2-3-6-13(12)18/h2-6,9-10H,7-8H2,1H3
InChIKeyINWVRFHXWPLFCN-UHFFFAOYSA-N
MW372.22 g/mol
LogP3.65
Rot. Bonds3

About [1-(2-bromophenyl)cyclopropyl] 2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate

[1-(2-bromophenyl)cyclopropyl] 2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate (PubChem CID 71913304) has the molecular formula C17H14BrN3O2 and a molecular weight of 372.22 g/mol. Its IUPAC name is [1-(2-bromophenyl)cyclopropyl] 2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate.

Molecular Properties

Compound Name[1-(2-bromophenyl)cyclopropyl] 2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate
PubChem CID71913304
Molecular FormulaC17H14BrN3O2
Molecular Weight372.22 g/mol
Exact Mass371.03
IUPAC Name[1-(2-bromophenyl)cyclopropyl] 2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCc1nn2cccnc2c1C(=O)OC1(c2ccccc2Br)CC1
InChIInChI=1S/C17H14BrN3O2/c1-11-14(15-19-9-4-10-21(15)20-11)16(22)23-17(7-8-17)12-5-2-3-6-13(12)18/h2-6,9-10H,7-8H2,1H3
InChIKeyINWVRFHXWPLFCN-UHFFFAOYSA-N
XLogP3.65
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.22
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [1-(2-bromophenyl)cyclopropyl] 2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-(2-bromophenyl)cyclopropyl] 2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate?
The IUPAC name of [1-(2-bromophenyl)cyclopropyl] 2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate (CID 71913304) is [1-(2-bromophenyl)cyclopropyl] 2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate.
What is the SMILES notation for [1-(2-bromophenyl)cyclopropyl] 2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate?
The canonical SMILES for [1-(2-bromophenyl)cyclopropyl] 2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate is Cc1nn2cccnc2c1C(=O)OC1(c2ccccc2Br)CC1.
What is the InChIKey of [1-(2-bromophenyl)cyclopropyl] 2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate?
The InChIKey is INWVRFHXWPLFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN3O2/c1-11-14(15-19-9-4-10-21(15)20-11)16(22)23-17(7-8-17)12-5-2-3-6-13(12)18/h2-6,9-10H,7-8H2,1H3.
What are the key properties of [1-(2-bromophenyl)cyclopropyl] 2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate?
[1-(2-bromophenyl)cyclopropyl] 2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate has a molecular weight of 372.22 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-bromophenyl)cyclopropyl] 2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 71913304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).