propan-2-yl 7-(2,6-difluorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate

C17H17F2N3O2 — CID 136913359

IUPACpropan-2-yl 7-(2,6-difluorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCC1=C(C(=O)OC(C)C)C(c2c(F)cccc2F)n2nccc2N1
InChIInChI=1S/C17H17F2N3O2/c1-9(2)24-17(23)14-10(3)21-13-7-8-20-22(13)16(14)15-11(18)5-4-6-12(15)19/h4-9,16,21H,1-3H3
InChIKeyDNWIUKDXKDKUIQ-UHFFFAOYSA-N
MW333.34 g/mol
LogP3.40
Rot. Bonds3

About propan-2-yl 7-(2,6-difluorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate

propan-2-yl 7-(2,6-difluorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate (PubChem CID 136913359) has the molecular formula C17H17F2N3O2 and a molecular weight of 333.34 g/mol. Its IUPAC name is propan-2-yl 7-(2,6-difluorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 7-(2,6-difluorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate
PubChem CID136913359
Molecular FormulaC17H17F2N3O2
Molecular Weight333.34 g/mol
Exact Mass333.13
IUPAC Namepropan-2-yl 7-(2,6-difluorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCC1=C(C(=O)OC(C)C)C(c2c(F)cccc2F)n2nccc2N1
InChIInChI=1S/C17H17F2N3O2/c1-9(2)24-17(23)14-10(3)21-13-7-8-20-22(13)16(14)15-11(18)5-4-6-12(15)19/h4-9,16,21H,1-3H3
InChIKeyDNWIUKDXKDKUIQ-UHFFFAOYSA-N
XLogP3.40
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze propan-2-yl 7-(2,6-difluorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-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 propan-2-yl 7-(2,6-difluorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate?
The IUPAC name of propan-2-yl 7-(2,6-difluorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate (CID 136913359) is propan-2-yl 7-(2,6-difluorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate.
What is the SMILES notation for propan-2-yl 7-(2,6-difluorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate?
The canonical SMILES for propan-2-yl 7-(2,6-difluorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate is CC1=C(C(=O)OC(C)C)C(c2c(F)cccc2F)n2nccc2N1.
What is the InChIKey of propan-2-yl 7-(2,6-difluorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate?
The InChIKey is DNWIUKDXKDKUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N3O2/c1-9(2)24-17(23)14-10(3)21-13-7-8-20-22(13)16(14)15-11(18)5-4-6-12(15)19/h4-9,16,21H,1-3H3.
What are the key properties of propan-2-yl 7-(2,6-difluorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate?
propan-2-yl 7-(2,6-difluorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate has a molecular weight of 333.34 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 7-(2,6-difluorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 136913359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).