methyl 5-(4-ethylpiperazin-1-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate

C14H23N5O4S — CID 50985191

IUPACmethyl 5-(4-ethylpiperazin-1-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate
SMILESCCN1CCN(S(=O)(=O)N2CCn3nc(C(=O)OC)cc3C2)CC1
InChIInChI=1S/C14H23N5O4S/c1-3-16-4-6-17(7-5-16)24(21,22)18-8-9-19-12(11-18)10-13(15-19)14(20)23-2/h10H,3-9,11H2,1-2H3
InChIKeyFTROAQMFYMGABE-UHFFFAOYSA-N
MW357.44 g/mol
LogP-0.63
Rot. Bonds4

About methyl 5-(4-ethylpiperazin-1-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate

methyl 5-(4-ethylpiperazin-1-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate (PubChem CID 50985191) has the molecular formula C14H23N5O4S and a molecular weight of 357.44 g/mol. Its IUPAC name is methyl 5-(4-ethylpiperazin-1-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(4-ethylpiperazin-1-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate
PubChem CID50985191
Molecular FormulaC14H23N5O4S
Molecular Weight357.44 g/mol
Exact Mass357.15
IUPAC Namemethyl 5-(4-ethylpiperazin-1-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate
SMILESCCN1CCN(S(=O)(=O)N2CCn3nc(C(=O)OC)cc3C2)CC1
InChIInChI=1S/C14H23N5O4S/c1-3-16-4-6-17(7-5-16)24(21,22)18-8-9-19-12(11-18)10-13(15-19)14(20)23-2/h10H,3-9,11H2,1-2H3
InChIKeyFTROAQMFYMGABE-UHFFFAOYSA-N
XLogP-0.63
TPSA87.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 5-0.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 5-(4-ethylpiperazin-1-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate with MolForge

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Related Compounds

methyl 5-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 50977050
methyl 5-[5-(1,2-oxazol-5-yl)furan-2-yl]sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 50955292
methyl 5-(2,2-dimethyl-3-morpholin-4-ylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 50971369
methyl 5-[(2R)-2-methylpentanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 95123709
methyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylate
CID 118705226
methyl 5-[(2-methoxyquinolin-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 50953445
methyl 5-[2-[methyl(pyridin-4-ylmethyl)amino]acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 50960366
methyl 5-(2-propyl-1,3-thiazole-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 50980331
methyl 5-(4-sulfamoylbenzoyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylate
CID 50972403
methyl 5-[(8-methoxy-2H-chromen-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 50979082
methyl 5-[2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 50972710
methyl 5-[3-(3,4,5-trimethylpyrazol-1-yl)propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 50981175

Frequently Asked Questions

What is the IUPAC name of methyl 5-(4-ethylpiperazin-1-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate?
The IUPAC name of methyl 5-(4-ethylpiperazin-1-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate (CID 50985191) is methyl 5-(4-ethylpiperazin-1-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 5-(4-ethylpiperazin-1-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate?
The canonical SMILES for methyl 5-(4-ethylpiperazin-1-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate is CCN1CCN(S(=O)(=O)N2CCn3nc(C(=O)OC)cc3C2)CC1.
What is the InChIKey of methyl 5-(4-ethylpiperazin-1-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate?
The InChIKey is FTROAQMFYMGABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O4S/c1-3-16-4-6-17(7-5-16)24(21,22)18-8-9-19-12(11-18)10-13(15-19)14(20)23-2/h10H,3-9,11H2,1-2H3.
What are the key properties of methyl 5-(4-ethylpiperazin-1-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate?
methyl 5-(4-ethylpiperazin-1-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate has a molecular weight of 357.44 g/mol, XLogP of -0.63, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(4-ethylpiperazin-1-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate is sourced from PubChem (CID 50985191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).