cyclopentyl 8-(3,4-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate

C19H18Cl2N4O2 — CID 90183174

IUPACcyclopentyl 8-(3,4-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate
SMILESCc1nn2c(C)c(C(=O)OC3CCCC3)nnc2c1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H18Cl2N4O2/c1-10-16(12-7-8-14(20)15(21)9-12)18-23-22-17(11(2)25(18)24-10)19(26)27-13-5-3-4-6-13/h7-9,13H,3-6H2,1-2H3
InChIKeyPMVHOBXBZOMFOO-UHFFFAOYSA-N
MW405.29 g/mol
LogP4.81
Rot. Bonds3

About cyclopentyl 8-(3,4-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate

cyclopentyl 8-(3,4-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate (PubChem CID 90183174) has the molecular formula C19H18Cl2N4O2 and a molecular weight of 405.29 g/mol. Its IUPAC name is cyclopentyl 8-(3,4-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate.

Molecular Properties

Compound Namecyclopentyl 8-(3,4-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate
PubChem CID90183174
Molecular FormulaC19H18Cl2N4O2
Molecular Weight405.29 g/mol
Exact Mass404.08
IUPAC Namecyclopentyl 8-(3,4-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate
SMILESCc1nn2c(C)c(C(=O)OC3CCCC3)nnc2c1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H18Cl2N4O2/c1-10-16(12-7-8-14(20)15(21)9-12)18-23-22-17(11(2)25(18)24-10)19(26)27-13-5-3-4-6-13/h7-9,13H,3-6H2,1-2H3
InChIKeyPMVHOBXBZOMFOO-UHFFFAOYSA-N
XLogP4.81
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.29
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl 8-(3,4-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate?
The IUPAC name of cyclopentyl 8-(3,4-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate (CID 90183174) is cyclopentyl 8-(3,4-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate.
What is the SMILES notation for cyclopentyl 8-(3,4-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate?
The canonical SMILES for cyclopentyl 8-(3,4-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate is Cc1nn2c(C)c(C(=O)OC3CCCC3)nnc2c1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of cyclopentyl 8-(3,4-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate?
The InChIKey is PMVHOBXBZOMFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N4O2/c1-10-16(12-7-8-14(20)15(21)9-12)18-23-22-17(11(2)25(18)24-10)19(26)27-13-5-3-4-6-13/h7-9,13H,3-6H2,1-2H3.
What are the key properties of cyclopentyl 8-(3,4-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate?
cyclopentyl 8-(3,4-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate has a molecular weight of 405.29 g/mol, XLogP of 4.81, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 8-(3,4-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate is sourced from PubChem (CID 90183174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).