cyclobutyl-[2-[[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)amino]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone

C17H24N6O2 — CID 118766301

IUPACcyclobutyl-[2-[[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)amino]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
SMILESCC(C)c1nc(NCc2cc3n(n2)CCN(C(=O)C2CCC2)C3)no1
InChIInChI=1S/C17H24N6O2/c1-11(2)15-19-17(21-25-15)18-9-13-8-14-10-22(6-7-23(14)20-13)16(24)12-4-3-5-12/h8,11-12H,3-7,9-10H2,1-2H3,(H,18,21)
InChIKeyPHHHZGNUNFEVTH-UHFFFAOYSA-N
MW344.42 g/mol
LogP2.14
Rot. Bonds5

About cyclobutyl-[2-[[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)amino]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone

cyclobutyl-[2-[[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)amino]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone (PubChem CID 118766301) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is cyclobutyl-[2-[[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)amino]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[2-[[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)amino]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
PubChem CID118766301
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC Namecyclobutyl-[2-[[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)amino]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
SMILESCC(C)c1nc(NCc2cc3n(n2)CCN(C(=O)C2CCC2)C3)no1
InChIInChI=1S/C17H24N6O2/c1-11(2)15-19-17(21-25-15)18-9-13-8-14-10-22(6-7-23(14)20-13)16(24)12-4-3-5-12/h8,11-12H,3-7,9-10H2,1-2H3,(H,18,21)
InChIKeyPHHHZGNUNFEVTH-UHFFFAOYSA-N
XLogP2.14
TPSA89.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

cyclobutyl-[2-[(pyrimidin-2-ylamino)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone
CID 70767265
cyclobutyl-[2-[(pyrazin-2-ylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
CID 121498493
propan-2-yl N-[[5-(cyclobutanecarbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]carbamate
CID 118765291
N-[[5-(cyclobutanecarbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 72907233
cyclobutyl-[2-[(oxolan-3-ylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
CID 121495858
N-[[5-(cyclobutanecarbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-5-propyl-1,2-oxazole-4-carboxamide
CID 118767215
N-[[5-(cyclobutanecarbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]pyrrolidine-1-carboxamide
CID 70744863
N-[[5-(cyclobutanecarbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-5-methyl-2H-triazole-4-carboxamide
CID 118789660
1-[(2R)-butan-2-yl]-3-[[5-(cyclobutanecarbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]urea
CID 96580555
N-[[5-(cyclobutanecarbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-4-pyrrolidin-1-ylbutanamide
CID 118767391
1-[[5-(cyclobutanecarbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-3-(3-methoxypropyl)urea
CID 122556508
1-[6-[[5-(cyclobutanecarbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methylamino]-3-pyridinyl]ethanone
CID 70720851

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[2-[[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)amino]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone?
The IUPAC name of cyclobutyl-[2-[[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)amino]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone (CID 118766301) is cyclobutyl-[2-[[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)amino]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone.
What is the SMILES notation for cyclobutyl-[2-[[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)amino]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone?
The canonical SMILES for cyclobutyl-[2-[[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)amino]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone is CC(C)c1nc(NCc2cc3n(n2)CCN(C(=O)C2CCC2)C3)no1.
What is the InChIKey of cyclobutyl-[2-[[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)amino]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone?
The InChIKey is PHHHZGNUNFEVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-11(2)15-19-17(21-25-15)18-9-13-8-14-10-22(6-7-23(14)20-13)16(24)12-4-3-5-12/h8,11-12H,3-7,9-10H2,1-2H3,(H,18,21).
What are the key properties of cyclobutyl-[2-[[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)amino]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone?
cyclobutyl-[2-[[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)amino]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone has a molecular weight of 344.42 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[2-[[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)amino]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone is sourced from PubChem (CID 118766301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).