methyl 3-[(2,4-dichlorophenyl)carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate

C15H14Cl2N4O3 — CID 134787433

IUPACmethyl 3-[(2,4-dichlorophenyl)carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
SMILESCOC(=O)N1CCn2ncc(C(=O)Nc3ccc(Cl)cc3Cl)c2C1
InChIInChI=1S/C15H14Cl2N4O3/c1-24-15(23)20-4-5-21-13(8-20)10(7-18-21)14(22)19-12-3-2-9(16)6-11(12)17/h2-3,6-7H,4-5,8H2,1H3,(H,19,22)
InChIKeyWYHMTFHZMRIKNK-UHFFFAOYSA-N
MW369.21 g/mol
LogP3.02
Rot. Bonds2

About methyl 3-[(2,4-dichlorophenyl)carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate

methyl 3-[(2,4-dichlorophenyl)carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate (PubChem CID 134787433) has the molecular formula C15H14Cl2N4O3 and a molecular weight of 369.21 g/mol. Its IUPAC name is methyl 3-[(2,4-dichlorophenyl)carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(2,4-dichlorophenyl)carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
PubChem CID134787433
Molecular FormulaC15H14Cl2N4O3
Molecular Weight369.21 g/mol
Exact Mass368.04
IUPAC Namemethyl 3-[(2,4-dichlorophenyl)carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
SMILESCOC(=O)N1CCn2ncc(C(=O)Nc3ccc(Cl)cc3Cl)c2C1
InChIInChI=1S/C15H14Cl2N4O3/c1-24-15(23)20-4-5-21-13(8-20)10(7-18-21)14(22)19-12-3-2-9(16)6-11(12)17/h2-3,6-7H,4-5,8H2,1H3,(H,19,22)
InChIKeyWYHMTFHZMRIKNK-UHFFFAOYSA-N
XLogP3.02
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.21
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-[(2,4-dichlorophenyl)carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate with MolForge

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Related Compounds

N-(2,4-dichlorophenyl)-1-ethyl-1H-pyrazole-5-carboxamide
CID 892997
N-(2,4-dichlorophenyl)-1-ethyl-1H-pyrazole-4-carboxamide
CID 832071
tert-butyl 4-[1-(2-chlorophenyl)-4-{[3-(4-ethylpiperazin-1-yl)propyl]carbamoyl}-1H-pyrazol-5-yl]piperidine-1-carboxylate
CID 16024249
1-(4-chlorophenyl)-5-methyl-N-[(pyridin-2-yl)methyl]-1H-pyrazole-4-carboxamide
CID 40636827
N-(2-acetamidoethyl)-1-(4-chlorophenyl)-5-methylpyrazole-4-carboxamide
CID 45866878
N-(2-chlorophenyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 46882704
N-(2,4-dichlorophenyl)-5-(2-fluorobenzoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 134791355
1-(4-Chlorophenyl)-6-methyl-pyrazolo[4,3-c]pyridin-4-ol
CID 155526121
N-(2,4-dichlorophenyl)pyrazolo[1,5-a]pyridine-4-carboxamide
CID 134794431
Sdccgsbi-0662485.P001
CID 134798985
N-(2,4-dichlorophenyl)-1-ethylpyrazole-3-carboxamide
CID 841891
N-(2-((2,4-dichlorophenyl)amino)phenyl)-3-(difluoromethyl)-1-methyl-1h-pyrazole-4-carboxamide
CID 168356069

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2,4-dichlorophenyl)carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
The IUPAC name of methyl 3-[(2,4-dichlorophenyl)carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate (CID 134787433) is methyl 3-[(2,4-dichlorophenyl)carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate.
What is the SMILES notation for methyl 3-[(2,4-dichlorophenyl)carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
The canonical SMILES for methyl 3-[(2,4-dichlorophenyl)carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate is COC(=O)N1CCn2ncc(C(=O)Nc3ccc(Cl)cc3Cl)c2C1.
What is the InChIKey of methyl 3-[(2,4-dichlorophenyl)carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
The InChIKey is WYHMTFHZMRIKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N4O3/c1-24-15(23)20-4-5-21-13(8-20)10(7-18-21)14(22)19-12-3-2-9(16)6-11(12)17/h2-3,6-7H,4-5,8H2,1H3,(H,19,22).
What are the key properties of methyl 3-[(2,4-dichlorophenyl)carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
methyl 3-[(2,4-dichlorophenyl)carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate has a molecular weight of 369.21 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2,4-dichlorophenyl)carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate is sourced from PubChem (CID 134787433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).