ethyl 5,7-dichloro-2-methyl-6-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate

C13H15Cl2N3O2 — CID 82274664

IUPACethyl 5,7-dichloro-2-methyl-6-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1c(C)nn2c(Cl)c(C(C)C)c(Cl)nc12
InChIInChI=1S/C13H15Cl2N3O2/c1-5-20-13(19)9-7(4)17-18-11(15)8(6(2)3)10(14)16-12(9)18/h6H,5H2,1-4H3
InChIKeyCXDMNRAKIRBOHR-UHFFFAOYSA-N
MW316.19 g/mol
LogP3.64
Rot. Bonds3

About ethyl 5,7-dichloro-2-methyl-6-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate

ethyl 5,7-dichloro-2-methyl-6-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate (PubChem CID 82274664) has the molecular formula C13H15Cl2N3O2 and a molecular weight of 316.19 g/mol. Its IUPAC name is ethyl 5,7-dichloro-2-methyl-6-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5,7-dichloro-2-methyl-6-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate
PubChem CID82274664
Molecular FormulaC13H15Cl2N3O2
Molecular Weight316.19 g/mol
Exact Mass315.05
IUPAC Nameethyl 5,7-dichloro-2-methyl-6-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1c(C)nn2c(Cl)c(C(C)C)c(Cl)nc12
InChIInChI=1S/C13H15Cl2N3O2/c1-5-20-13(19)9-7(4)17-18-11(15)8(6(2)3)10(14)16-12(9)18/h6H,5H2,1-4H3
InChIKeyCXDMNRAKIRBOHR-UHFFFAOYSA-N
XLogP3.64
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.19
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 5,7-dichloro-2-methyl-6-propan-2-ylpyrazolo[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

Related Compounds

ethyl 7-chloro-5-methyl-6-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 82274224
ethyl 7-chloro-2,5-dimethyl-3-(2,4,6-trimethylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 22249592
ethyl 2-chloro-4,6-dimethylpyrimidine-5-carboxylate
CID 59868739
ethyl 5-chloro-3-(difluoromethyl)-1-methylpyrazole-4-carboxylate
CID 56926831
ethyl 1-amino-3,5-dimethylpyrazole-4-carboxylate
CID 70386750
ethyl 3-bromo-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate
CID 162494463
ethyl 8-diethoxyphosphoryl-2,3,6-trimethylpyrrolo[1,2-b][1,2,4]triazine-7-carboxylate
CID 10642822
ethyl 2,6-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 126763838
methyl 2-(3,7-dichloro-2,5-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-2-[(2-methylpropan-2-yl)oxy]acetate
CID 86670283
ethyl 5-(2-aminopropanoylamino)-1,3-dimethylpyrazole-4-carboxylate
CID 110478908
ethyl 2,7-dimethyl-5-oxopyrazolo[5,1-b][1,3]oxazine-3-carboxylate
CID 13166083
ethyl 2,6-dichloro-5-fluoro-4-methylpyridine-3-carboxylate
CID 23364517

Frequently Asked Questions

What is the IUPAC name of ethyl 5,7-dichloro-2-methyl-6-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate?
The IUPAC name of ethyl 5,7-dichloro-2-methyl-6-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate (CID 82274664) is ethyl 5,7-dichloro-2-methyl-6-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate.
What is the SMILES notation for ethyl 5,7-dichloro-2-methyl-6-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate?
The canonical SMILES for ethyl 5,7-dichloro-2-methyl-6-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate is CCOC(=O)c1c(C)nn2c(Cl)c(C(C)C)c(Cl)nc12.
What is the InChIKey of ethyl 5,7-dichloro-2-methyl-6-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate?
The InChIKey is CXDMNRAKIRBOHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N3O2/c1-5-20-13(19)9-7(4)17-18-11(15)8(6(2)3)10(14)16-12(9)18/h6H,5H2,1-4H3.
What are the key properties of ethyl 5,7-dichloro-2-methyl-6-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate?
ethyl 5,7-dichloro-2-methyl-6-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate has a molecular weight of 316.19 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 5,7-dichloro-2-methyl-6-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 82274664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).