N-[2-(5-cyclobutyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)ethyl]thiophene-3-carboxamide

C17H22N4OS — CID 131659331

IUPACN-[2-(5-cyclobutyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)ethyl]thiophene-3-carboxamide
SMILESO=C(NCCC1CN(C2CCC2)Cc2ccnn21)c1ccsc1
InChIInChI=1S/C17H22N4OS/c22-17(13-6-9-23-12-13)18-7-4-15-10-20(14-2-1-3-14)11-16-5-8-19-21(15)16/h5-6,8-9,12,14-15H,1-4,7,10-11H2,(H,18,22)
InChIKeySGKRNTIFPUWXGK-UHFFFAOYSA-N
MW330.46 g/mol
LogP2.67
Rot. Bonds5

About N-[2-(5-cyclobutyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)ethyl]thiophene-3-carboxamide

N-[2-(5-cyclobutyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)ethyl]thiophene-3-carboxamide (PubChem CID 131659331) has the molecular formula C17H22N4OS and a molecular weight of 330.46 g/mol. Its IUPAC name is N-[2-(5-cyclobutyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)ethyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[2-(5-cyclobutyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)ethyl]thiophene-3-carboxamide
PubChem CID131659331
Molecular FormulaC17H22N4OS
Molecular Weight330.46 g/mol
Exact Mass330.15
IUPAC NameN-[2-(5-cyclobutyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)ethyl]thiophene-3-carboxamide
SMILESO=C(NCCC1CN(C2CCC2)Cc2ccnn21)c1ccsc1
InChIInChI=1S/C17H22N4OS/c22-17(13-6-9-23-12-13)18-7-4-15-10-20(14-2-1-3-14)11-16-5-8-19-21(15)16/h5-6,8-9,12,14-15H,1-4,7,10-11H2,(H,18,22)
InChIKeySGKRNTIFPUWXGK-UHFFFAOYSA-N
XLogP2.67
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(7S)-5-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]thiophene-3-carboxamide
CID 124781272
N-[2-(5-cyclopentyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)ethyl]pyridine-3-carboxamide
CID 131677870
N-[2-[(7S)-5-cyclopentyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]-1-methylpyrrole-2-carboxamide
CID 124818888
N-[2-(5-cyclopentyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)ethyl]-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid
CID 155850249
N-[2-[5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]-1,3-thiazole-4-carboxamide
CID 131678064
5-cyclobutyl-7-(2-methoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid
CID 155826068
N-[2-[5-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]pyrrolidine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 155832503
N-[2-[(7S)-5-cyclobutyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]ethyl]pyridine-3-carboxamide
CID 124781140
N-[2-(5-ethylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 131678503
N-[2-[5-(cyclopentylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]pyrazine-2-carboxamide
CID 131651937
1-methyl-N-[2-[(7S)-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]pyrrole-2-carboxamide
CID 124820223
N-[2-(thiophene-3-carbonylamino)ethyl]thiophene-3-carboxamide
CID 101004058

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-cyclobutyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)ethyl]thiophene-3-carboxamide?
The IUPAC name of N-[2-(5-cyclobutyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)ethyl]thiophene-3-carboxamide (CID 131659331) is N-[2-(5-cyclobutyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)ethyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[2-(5-cyclobutyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)ethyl]thiophene-3-carboxamide?
The canonical SMILES for N-[2-(5-cyclobutyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)ethyl]thiophene-3-carboxamide is O=C(NCCC1CN(C2CCC2)Cc2ccnn21)c1ccsc1.
What is the InChIKey of N-[2-(5-cyclobutyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)ethyl]thiophene-3-carboxamide?
The InChIKey is SGKRNTIFPUWXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4OS/c22-17(13-6-9-23-12-13)18-7-4-15-10-20(14-2-1-3-14)11-16-5-8-19-21(15)16/h5-6,8-9,12,14-15H,1-4,7,10-11H2,(H,18,22).
What are the key properties of N-[2-(5-cyclobutyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)ethyl]thiophene-3-carboxamide?
N-[2-(5-cyclobutyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)ethyl]thiophene-3-carboxamide has a molecular weight of 330.46 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-cyclobutyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)ethyl]thiophene-3-carboxamide is sourced from PubChem (CID 131659331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).