propan-2-yl N-[[5-(cyclobutanecarbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]carbamate

C16H24N4O3 — CID 118765291

IUPACpropan-2-yl N-[[5-(cyclobutanecarbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]carbamate
SMILESCC(C)OC(=O)NCc1cc2n(n1)CCN(C(=O)C1CCC1)C2
InChIInChI=1S/C16H24N4O3/c1-11(2)23-16(22)17-9-13-8-14-10-19(6-7-20(14)18-13)15(21)12-4-3-5-12/h8,11-12H,3-7,9-10H2,1-2H3,(H,17,22)
InChIKeyIYAHMCAVNYTQMN-UHFFFAOYSA-N
MW320.39 g/mol
LogP1.66
Rot. Bonds4

About propan-2-yl N-[[5-(cyclobutanecarbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]carbamate

propan-2-yl N-[[5-(cyclobutanecarbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]carbamate (PubChem CID 118765291) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is propan-2-yl N-[[5-(cyclobutanecarbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[[5-(cyclobutanecarbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]carbamate
PubChem CID118765291
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Namepropan-2-yl N-[[5-(cyclobutanecarbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]carbamate
SMILESCC(C)OC(=O)NCc1cc2n(n1)CCN(C(=O)C1CCC1)C2
InChIInChI=1S/C16H24N4O3/c1-11(2)23-16(22)17-9-13-8-14-10-19(6-7-20(14)18-13)15(21)12-4-3-5-12/h8,11-12H,3-7,9-10H2,1-2H3,(H,17,22)
InChIKeyIYAHMCAVNYTQMN-UHFFFAOYSA-N
XLogP1.66
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
1-[[5-(cyclobutanecarbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-3-(3-methoxypropyl)urea
CID 122556508
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
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
(2R)-N-[[5-(cyclobutanecarbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-1-methylpiperidine-2-carboxamide
CID 96579560
N-[[5-(cyclobutanecarbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 118793253
N-[[5-(cyclobutanecarbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-4-fluoro-3-methylbenzamide
CID 118766639
N-[[5-(cyclobutanecarbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-2-(3-hydroxyphenyl)acetamide
CID 118788274
N-[[5-(cyclobutanecarbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide
CID 118792658

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[[5-(cyclobutanecarbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]carbamate?
The IUPAC name of propan-2-yl N-[[5-(cyclobutanecarbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]carbamate (CID 118765291) is propan-2-yl N-[[5-(cyclobutanecarbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]carbamate.
What is the SMILES notation for propan-2-yl N-[[5-(cyclobutanecarbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]carbamate?
The canonical SMILES for propan-2-yl N-[[5-(cyclobutanecarbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]carbamate is CC(C)OC(=O)NCc1cc2n(n1)CCN(C(=O)C1CCC1)C2.
What is the InChIKey of propan-2-yl N-[[5-(cyclobutanecarbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]carbamate?
The InChIKey is IYAHMCAVNYTQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-11(2)23-16(22)17-9-13-8-14-10-19(6-7-20(14)18-13)15(21)12-4-3-5-12/h8,11-12H,3-7,9-10H2,1-2H3,(H,17,22).
What are the key properties of propan-2-yl N-[[5-(cyclobutanecarbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]carbamate?
propan-2-yl N-[[5-(cyclobutanecarbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]carbamate has a molecular weight of 320.39 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[[5-(cyclobutanecarbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]carbamate is sourced from PubChem (CID 118765291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).